#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jty h PHE 33 N 0.00 -1.55 0.00 1.61 3.57 -1.69 -2.00 116.94 116.89 3jty h PHE 33 Ca 0.00 0.08 -0.22 0.00 3.53 0.00 0.00 57.97 61.35 3jty h PHE 33 Cb 0.00 0.72 0.00 0.00 2.79 0.00 0.00 35.95 39.46 3jty h PHE 33 CO 0.00 -0.44 -0.93 -0.07 -2.23 0.00 0.00 178.31 174.63 3jty h LEU 34 N -0.36 0.48 -0.44 0.59 4.07 -1.92 0.07 115.31 117.80 3jty h LEU 34 Ca 0.07 -0.39 -0.12 0.00 0.08 0.00 0.00 57.88 57.52 3jty h LEU 34 Cb 0.54 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 3jty h LEU 34 CO -0.54 1.19 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.48 3jty h GLU 35 N 0.21 0.91 -0.51 1.13 3.07 -1.90 -3.18 114.58 114.30 3jty h GLU 35 Ca -0.07 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3jty h GLU 35 Cb 1.57 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 3jty h GLU 35 CO 0.16 1.04 0.00 -0.25 -1.40 0.00 0.00 179.01 178.56 3jty n ASP 36 N -4.19 4.36 -4.76 1.42 8.00 -0.78 -4.91 116.55 115.70 3jty n ASP 36 Ca -0.01 -2.54 -0.41 0.00 0.71 0.00 0.00 54.79 52.55 3jty n ASP 36 Cb 0.44 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3jty n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jty s ALA 37 N -1.99 3.50 0.01 2.24 0.00 -1.20 -4.03 121.76 120.28 3jty s ALA 37 Ca 0.45 1.16 0.08 0.00 0.00 0.00 0.00 51.96 53.65 3jty s ALA 37 Cb 0.30 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3jty s ALA 37 CO 0.19 -0.53 -0.26 -0.65 0.00 0.00 0.00 175.76 174.51 3jty s GLN 38 N -1.15 1.94 -0.10 0.00 -0.21 0.22 -4.94 119.66 115.41 3jty s GLN 38 Ca 0.51 -0.99 -0.05 0.00 0.02 0.00 0.00 55.36 54.85 3jty s GLN 38 Cb -0.38 -1.97 0.05 0.00 1.00 0.00 0.00 33.01 31.71 3jty s GLN 38 CO 0.46 0.53 0.22 0.00 -2.12 0.00 0.00 175.29 174.38 3jty s ALA 39 N -0.69 -0.48 -0.01 6.09 0.00 -1.26 0.25 121.76 125.67 3jty s ALA 39 Ca 0.10 0.91 0.07 0.00 0.00 0.00 0.00 51.96 53.04 3jty s ALA 39 Cb -0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 3jty s ALA 39 CO 0.00 -0.23 -0.22 -0.80 0.00 0.00 0.00 175.76 174.52 3jty s ASN 40 N 1.34 2.58 -0.22 0.00 0.01 0.13 -2.16 114.94 116.62 3jty s ASN 40 Ca -0.08 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.66 3jty s ASN 40 Cb -0.11 -0.28 0.04 0.00 0.41 0.00 0.00 41.25 41.31 3jty s ASN 40 CO -0.08 0.26 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.41 3jty s LEU 41 N -0.62 2.83 -0.28 0.60 2.96 -0.88 0.14 118.68 123.44 3jty s LEU 41 Ca 0.08 -0.99 -0.11 0.00 -0.22 0.00 0.00 54.13 52.89 3jty s LEU 41 Cb -0.09 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 3jty s LEU 41 CO -0.00 -0.10 0.19 -0.89 -1.32 0.00 0.00 176.35 174.23 3jty s THR 42 N 1.22 5.31 -0.21 3.68 2.01 0.65 -0.74 115.64 127.56 3jty s THR 42 Ca -0.01 0.18 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 3jty s THR 42 Cb -0.16 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 3jty s THR 42 CO -0.08 0.26 0.77 -0.76 -0.69 0.00 0.00 174.62 174.11 3jty s LEU 43 N 1.71 4.13 -0.22 4.42 1.43 -0.33 -1.00 118.68 128.82 3jty s LEU 43 Ca 0.07 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 3jty s LEU 43 Cb -0.16 -3.10 0.05 0.00 0.03 0.00 0.00 46.19 43.01 3jty s LEU 43 CO 0.10 -0.40 -0.06 -0.60 0.23 0.00 0.00 176.35 175.62 3jty s ARG 44 N 2.35 1.63 -0.31 1.70 3.52 -0.43 -0.44 118.95 126.96 3jty s ARG 44 Ca 0.34 -0.86 -0.18 0.00 -0.13 0.00 0.00 55.73 54.90 3jty s ARG 44 Cb -0.16 -2.45 -0.02 0.00 -1.56 0.00 0.00 34.95 30.77 3jty s ARG 44 CO 0.10 -0.54 0.50 1.21 -0.81 0.00 0.00 175.30 175.76 3jty s ASN 45 N 1.45 6.35 -0.28 -2.12 2.47 0.66 -0.92 114.94 122.56 3jty s ASN 45 Ca -0.04 0.21 0.02 0.00 0.42 0.00 0.00 52.86 53.47 3jty s ASN 45 Cb -0.18 -2.27 0.08 0.00 -1.45 0.00 0.00 41.25 37.44 3jty s ASN 45 CO -0.07 -0.38 0.01 0.12 -3.72 0.00 0.00 177.10 173.05 3jty s PHE 46 N 2.34 2.72 -0.22 0.43 5.99 -0.66 -0.49 117.98 128.10 3jty s PHE 46 Ca 0.19 -2.16 -0.13 0.00 0.00 0.00 0.00 56.93 54.83 3jty s PHE 46 Cb -0.15 -2.03 -0.05 0.00 0.00 0.00 0.00 43.02 40.79 3jty s PHE 46 CO 0.11 -0.86 0.25 -0.47 -0.00 0.00 0.00 175.22 174.26 3jty s TYR 47 N 1.27 3.36 -0.12 10.12 5.04 0.96 -1.82 117.35 136.16 3jty s TYR 47 Ca 0.02 0.40 0.01 0.00 -2.44 0.00 0.00 57.07 55.06 3jty s TYR 47 Cb -0.19 -2.36 0.02 0.00 0.35 0.00 0.00 41.96 39.79 3jty s TYR 47 CO -0.11 0.07 -0.12 0.12 -1.34 0.00 0.00 175.55 174.18 3jty s PHE 48 N 1.03 1.81 -0.30 4.97 5.36 -0.83 -0.08 117.98 129.93 3jty s PHE 48 Ca 0.12 -0.91 0.00 0.00 -0.96 0.00 0.00 56.93 55.18 3jty s PHE 48 Cb -0.14 -1.38 0.09 0.00 -0.34 0.00 0.00 43.02 41.26 3jty s PHE 48 CO 0.05 -0.53 0.07 1.21 -1.46 0.00 0.00 175.22 174.56 3jty s ASN 49 N 1.36 4.11 -0.38 6.13 3.84 0.13 -2.47 114.94 127.66 3jty s ASN 49 Ca 0.00 -1.67 -0.13 0.00 0.21 0.00 0.00 52.86 51.28 3jty s ASN 49 Cb -0.13 -1.03 0.02 0.00 -0.55 0.00 0.00 41.25 39.55 3jty s ASN 49 CO -0.06 -0.39 0.25 -0.60 -2.79 0.00 0.00 177.10 173.51 3jty s ARG 50 N 1.47 2.99 -0.51 0.43 3.52 0.52 -0.98 118.95 126.39 3jty s ARG 50 Ca 0.08 -0.98 -0.19 0.00 -0.13 0.00 0.00 55.73 54.51 3jty s ARG 50 Cb -0.18 -3.84 0.07 0.00 -1.56 0.00 0.00 34.95 29.44 3jty s ARG 50 CO -0.19 -0.68 0.61 1.21 -0.81 0.00 0.00 175.30 175.44 3jty s ASN 51 N 1.63 6.21 0.24 -2.12 2.47 0.15 -0.93 114.94 122.59 3jty s ASN 51 Ca 0.04 -1.02 -0.31 0.00 0.42 0.00 0.00 52.86 51.99 3jty s ASN 51 Cb -0.19 -2.28 -0.12 0.00 -1.45 0.00 0.00 41.25 37.21 3jty s ASN 51 CO 0.09 -0.90 1.67 -0.36 -3.72 0.00 0.00 177.10 173.88 3jty s PHE 52 N 2.54 2.84 -1.66 0.43 0.08 -0.73 -1.46 117.98 120.02 3jty s PHE 52 Ca 0.14 0.52 0.18 0.00 0.12 0.00 0.00 56.93 57.88 3jty s PHE 52 Cb -0.20 -4.12 0.01 0.00 -0.57 0.00 0.00 43.02 38.14 3jty s PHE 52 CO 0.11 -4.04 0.92 0.25 -0.10 0.00 0.00 175.22 172.36 3jty n THR 53 N 3.25 0.00 -3.93 0.64 -2.24 -0.50 -4.89 114.28 106.61 3jty n THR 53 Ca 0.13 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.23 3jty n THR 53 Cb 0.36 1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 69.67 3jty n THR 53 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3jty s ASN 54 N -1.97 4.84 0.00 3.42 3.84 -1.26 -5.00 114.94 118.81 3jty s ASN 54 Ca 0.15 -1.42 0.09 0.00 0.21 0.00 0.00 52.86 51.89 3jty s ASN 54 Cb 0.14 -1.69 0.42 0.00 -0.55 0.00 0.00 41.25 39.57 3jty s ASN 54 CO 0.42 -0.28 1.27 -0.81 -2.79 0.00 0.00 177.10 174.91 3jty n PRO 55 N 4.56 0.03 0.10 0.43 -0.04 -1.26 -0.96 135.00 137.86 3jty n PRO 55 Ca -0.11 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 3jty n PRO 55 Cb 0.43 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.84 3jty n PRO 55 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3jty n THR 56 N -1.45 0.68 -3.16 0.52 -2.24 -1.26 -4.75 114.28 102.62 3jty n THR 56 Ca 0.03 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.41 3jty n THR 56 Cb 0.10 -0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 67.42 3jty n THR 56 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3jty s LYS 57 N -3.18 4.38 0.09 -0.78 2.20 -0.14 -4.98 119.74 117.32 3jty s LYS 57 Ca 0.08 0.74 -0.13 0.00 -0.36 0.00 0.00 55.97 56.29 3jty s LYS 57 Cb 0.11 -3.41 -0.20 0.00 -1.51 0.00 0.00 37.83 32.82 3jty s LYS 57 CO 0.48 0.19 1.24 0.00 -0.36 0.00 0.00 175.35 176.90 3jty h ALA 58 N 6.35 0.20 -2.37 3.13 0.00 -1.87 -3.41 119.26 121.30 3jty h ALA 58 Ca -0.42 -0.66 -0.55 0.00 0.00 0.00 0.00 54.91 53.28 3jty h ALA 58 Cb 1.19 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3jty h ALA 58 CO 0.73 0.69 0.47 -1.14 0.00 0.00 0.00 179.25 180.00 3jty s GLN 59 N -3.48 4.49 0.02 0.00 0.74 -1.26 -4.97 119.66 115.20 3jty s GLN 59 Ca -0.10 1.46 -0.18 0.00 0.05 0.00 0.00 55.36 56.59 3jty s GLN 59 Cb 0.08 -3.48 -0.28 0.00 1.10 0.00 0.00 33.01 30.43 3jty s GLN 59 CO 0.92 -0.17 1.05 0.78 -0.55 0.00 0.00 175.29 177.32 3jty h GLY 60 N 7.24 0.55 -4.38 2.59 0.00 -1.86 -3.45 103.07 103.76 3jty h GLY 60 Ca -0.38 -1.13 -0.12 0.00 0.00 0.00 0.00 47.33 45.70 3jty h GLY 60 CO 0.79 1.00 -0.36 -1.59 0.00 0.00 0.00 176.54 176.38 3jty s LYS 61 N -2.93 0.63 -0.28 4.80 -2.85 -1.26 -1.77 119.74 116.09 3jty s LYS 61 Ca -0.12 -0.39 -0.06 0.00 -1.00 0.00 0.00 55.97 54.40 3jty s LYS 61 Cb 0.04 0.27 0.01 0.00 -2.06 0.00 0.00 37.83 36.09 3jty s LYS 61 CO 0.88 -0.17 0.05 0.00 0.10 0.00 0.00 175.35 176.21 3jty s ALA 62 N -1.77 3.01 -0.10 0.59 0.00 -0.11 -4.44 121.76 118.95 3jty s ALA 62 Ca -0.11 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 3jty s ALA 62 Cb -0.04 -2.06 0.05 0.00 0.00 0.00 0.00 23.12 21.06 3jty s ALA 62 CO 0.01 -0.84 0.09 -2.00 0.00 0.00 0.00 175.76 173.01 3jty s GLU 63 N 1.49 0.00 0.12 0.00 2.12 0.23 -0.35 118.70 122.30 3jty s GLU 63 Ca 0.03 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.59 3jty s GLU 63 Cb -0.17 -1.04 -0.04 0.00 0.26 0.00 0.00 34.13 33.14 3jty s GLU 63 CO 0.01 -0.48 -0.06 -1.21 -0.54 0.00 0.00 175.26 172.98 3jty s GLU 64 N 2.18 0.93 -0.11 4.30 2.02 -1.03 -4.43 118.70 122.56 3jty s GLU 64 Ca 0.04 -1.40 -0.04 0.00 0.02 0.00 0.00 54.97 53.59 3jty s GLU 64 Cb -0.14 -0.31 0.06 0.00 0.10 0.00 0.00 34.13 33.84 3jty s GLU 64 CO -0.06 -0.02 0.22 -0.46 0.02 0.00 0.00 175.26 174.96 3jty s TRP 65 N -3.56 -0.31 0.22 1.61 -0.00 -0.74 -1.97 118.94 114.18 3jty s TRP 65 Ca 0.15 0.79 0.09 0.00 -0.00 0.00 0.00 56.10 57.13 3jty s TRP 65 Cb 0.05 -0.15 -0.05 0.00 -0.00 0.00 0.00 33.47 33.32 3jty s TRP 65 CO -0.02 -0.33 -0.17 0.95 -0.00 0.00 0.00 176.95 177.38 3jty s THR 66 N 2.36 1.98 -0.09 5.86 -4.23 -0.76 0.28 115.64 121.05 3jty s THR 66 Ca 0.02 -2.21 0.03 0.00 -1.18 0.00 0.00 61.69 58.35 3jty s THR 66 Cb -0.12 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.64 3jty s THR 66 CO -0.07 -0.48 -0.18 -1.58 -0.54 0.00 0.00 174.62 171.77 3jty s GLN 67 N -3.43 2.36 0.17 3.99 2.00 -0.65 -1.65 119.66 122.45 3jty s GLN 67 Ca 0.23 -0.63 0.07 0.00 -2.00 0.00 0.00 55.36 53.03 3jty s GLN 67 Cb -0.03 -1.89 -0.04 0.00 0.80 0.00 0.00 33.01 31.85 3jty s GLN 67 CO 0.09 0.05 -0.15 -1.12 -0.50 0.00 0.00 175.29 173.67 3jty s SER 68 N 0.64 2.40 -0.16 6.67 0.01 -0.09 -1.21 113.70 121.95 3jty s SER 68 Ca -0.14 -0.93 -0.02 0.00 1.31 0.00 0.00 55.95 56.18 3jty s SER 68 Cb -0.16 -0.11 0.05 0.00 0.21 0.00 0.00 66.02 66.00 3jty s SER 68 CO 0.04 -0.14 -0.00 -0.36 0.41 0.00 0.00 173.24 173.19 3jty s PHE 69 N -2.56 1.23 -0.32 2.43 0.08 0.39 -1.32 117.98 117.91 3jty s PHE 69 Ca 0.17 -0.84 -0.04 0.00 0.12 0.00 0.00 56.93 56.35 3jty s PHE 69 Cb -0.03 -1.10 0.04 0.00 -0.57 0.00 0.00 43.02 41.37 3jty s PHE 69 CO 0.05 -0.57 0.04 0.42 -0.10 0.00 0.00 175.22 175.07 3jty s ILE 70 N 1.79 3.32 -0.38 0.64 1.01 -0.17 -1.59 121.20 125.82 3jty s ILE 70 Ca 0.00 -1.27 -0.19 0.00 0.00 0.00 0.00 60.65 59.19 3jty s ILE 70 Cb -0.16 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.43 3jty s ILE 70 CO -0.07 -0.13 0.53 -0.22 0.00 0.00 0.00 174.94 175.05 3jty s LEU 71 N 1.32 4.46 -0.37 2.97 2.96 0.30 -0.26 118.68 130.05 3jty s LEU 71 Ca -0.04 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3jty s LEU 71 Cb -0.20 -2.59 0.10 0.00 0.50 0.00 0.00 46.19 44.00 3jty s LEU 71 CO 0.01 -0.57 0.12 -0.62 -1.32 0.00 0.00 176.35 173.97 3jty s ASP 72 N 1.82 5.03 -0.16 3.68 2.15 0.12 0.29 116.67 129.61 3jty s ASP 72 Ca 0.19 -2.00 0.01 0.00 0.43 0.00 0.00 52.55 51.18 3jty s ASP 72 Cb -0.15 -1.74 0.01 0.00 -0.30 0.00 0.00 42.92 40.73 3jty s ASP 72 CO 0.15 -0.45 -0.18 0.00 -0.17 0.00 0.00 175.17 174.52 3jty s ALA 73 N 1.06 2.40 -0.08 3.66 0.00 -0.40 -0.69 121.76 127.71 3jty s ALA 73 Ca 0.08 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.96 3jty s ALA 73 Cb -0.21 -1.18 -0.00 0.00 0.00 0.00 0.00 23.12 21.73 3jty s ALA 73 CO -0.05 -0.15 -0.22 0.15 0.00 0.00 0.00 175.76 175.49 3jty s LYS 74 N 1.00 2.60 0.47 0.00 1.02 0.14 0.02 119.74 124.98 3jty s LYS 74 Ca -0.02 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.16 3jty s LYS 74 Cb -0.15 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 3jty s LYS 74 CO -0.04 0.22 0.71 -1.54 -0.92 0.00 0.00 175.35 173.78 3jty s SER 75 N 0.21 5.93 1.01 2.83 1.04 -0.55 0.70 113.70 124.87 3jty s SER 75 Ca -0.12 0.50 -0.15 0.00 0.48 0.00 0.00 55.95 56.65 3jty s SER 75 Cb -0.16 -1.76 0.20 0.00 0.10 0.00 0.00 66.02 64.40 3jty s SER 75 CO 0.06 -0.69 1.19 -0.83 0.98 0.00 0.00 173.24 173.95 3jty s GLY 76 N -4.19 1.64 0.19 7.32 0.00 0.01 -4.69 107.32 107.61 3jty s GLY 76 Ca 0.48 -0.86 -0.20 0.00 0.00 0.00 0.00 44.72 44.14 3jty s GLY 76 CO 0.40 -0.14 0.71 -1.36 0.00 0.00 0.00 173.10 172.71 3jty s PHE 77 N -3.38 3.71 0.57 1.90 0.08 -1.26 -4.18 117.98 115.42 3jty s PHE 77 Ca 0.69 1.41 -0.21 0.00 0.12 0.00 0.00 56.93 58.94 3jty s PHE 77 Cb -0.10 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 3jty s PHE 77 CO 0.54 0.40 1.31 0.25 -0.10 0.00 0.00 175.22 177.62 3jty n THR 78 N 1.00 4.03 -2.08 0.64 -2.24 0.05 -2.86 114.28 112.82 3jty n THR 78 Ca -0.04 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.83 3jty n THR 78 Cb 0.51 -1.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.14 3jty n THR 78 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3jty s GLN 79 N -2.95 4.32 0.00 -0.78 -0.21 -1.26 -4.12 119.66 114.66 3jty s GLN 79 Ca 0.74 2.25 0.00 0.00 0.02 0.00 0.00 55.36 58.37 3jty s GLN 79 Cb -0.41 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.52 3jty s GLN 79 CO 0.47 -0.26 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 3jty n GLY 80 N 1.14 0.82 0.19 3.09 0.00 -1.26 -4.87 105.19 104.31 3jty n GLY 80 Ca 0.02 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 3jty n GLY 80 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jty h THR 81 N 0.00 1.32 -3.70 2.61 2.02 -1.92 -3.39 112.91 109.84 3jty h THR 81 Ca 0.00 -1.52 -0.68 0.00 0.77 0.00 0.00 66.41 64.98 3jty h THR 81 Cb 0.00 1.75 -0.36 0.00 -1.74 0.00 0.00 68.15 67.80 3jty h THR 81 CO 0.00 0.48 -0.69 -0.69 0.37 0.00 0.00 175.52 174.99 3jty s VAL 82 N -4.20 2.71 0.28 3.16 1.01 -1.26 -4.14 120.40 117.96 3jty s VAL 82 Ca -0.13 -1.84 -0.13 0.00 0.00 0.00 0.00 61.98 59.89 3jty s VAL 82 Cb 0.08 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 3jty s VAL 82 CO 0.82 -0.35 0.66 -0.83 0.00 0.00 0.00 175.10 175.40 3jty s GLY 83 N 1.26 2.33 0.12 4.51 0.00 -0.44 -4.87 107.32 110.24 3jty s GLY 83 Ca 0.01 -0.08 0.09 0.00 0.00 0.00 0.00 44.72 44.75 3jty s GLY 83 CO -0.04 0.11 -0.23 -0.12 0.00 0.00 0.00 173.10 172.82 3jty s PHE 84 N -1.89 1.98 0.32 1.90 5.36 -1.26 -1.38 117.98 123.02 3jty s PHE 84 Ca 0.51 -0.41 -0.18 0.00 -0.96 0.00 0.00 56.93 55.89 3jty s PHE 84 Cb -0.11 -1.07 0.06 0.00 -0.34 0.00 0.00 43.02 41.56 3jty s PHE 84 CO 0.19 0.27 0.87 0.20 -1.46 0.00 0.00 175.22 175.30 3jty s GLY 85 N -2.05 0.29 -0.12 13.12 0.00 -0.43 -0.77 107.32 117.37 3jty s GLY 85 Ca 0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 44.72 44.12 3jty s GLY 85 CO 0.05 0.62 0.29 -0.29 0.00 0.00 0.00 173.10 173.77 3jty s MET 86 N -2.23 0.30 -0.13 2.90 1.75 -1.26 -1.66 119.30 118.97 3jty s MET 86 Ca 0.18 0.52 0.02 0.00 -1.25 0.00 0.00 55.69 55.15 3jty s MET 86 Cb -0.04 0.02 -0.00 0.00 2.84 0.00 0.00 34.83 37.65 3jty s MET 86 CO 0.09 -0.11 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.66 3jty s ASP 87 N 0.79 3.46 -0.12 1.11 1.11 -0.14 -1.48 116.67 121.41 3jty s ASP 87 Ca -0.05 -0.48 0.01 0.00 0.18 0.00 0.00 52.55 52.21 3jty s ASP 87 Cb -0.06 -1.50 -0.01 0.00 1.07 0.00 0.00 42.92 42.42 3jty s ASP 87 CO -0.05 0.13 -0.17 -0.69 1.18 0.00 0.00 175.17 175.57 3jty s VAL 88 N 0.51 2.67 -0.26 -1.27 1.01 0.10 -1.34 120.40 121.82 3jty s VAL 88 Ca -0.12 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3jty s VAL 88 Cb -0.17 -2.09 0.05 0.00 0.00 0.00 0.00 36.38 34.18 3jty s VAL 88 CO 0.05 0.54 -0.09 -0.22 0.00 0.00 0.00 175.10 175.37 3jty s LEU 89 N 0.33 3.45 -0.29 3.92 2.96 0.24 -1.28 118.68 128.02 3jty s LEU 89 Ca -0.14 -1.31 -0.03 0.00 -0.22 0.00 0.00 54.13 52.42 3jty s LEU 89 Cb -0.17 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 44.97 3jty s LEU 89 CO 0.07 -0.19 0.01 -0.83 -1.32 0.00 0.00 176.35 174.09 3jty s GLY 90 N 1.15 1.73 -0.20 7.98 0.00 0.15 0.79 107.32 118.91 3jty s GLY 90 Ca -0.07 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 43.06 3jty s GLY 90 CO -0.05 0.64 -0.08 1.08 0.00 0.00 0.00 173.10 174.69 3jty s LEU 91 N 1.35 2.24 -0.02 0.66 1.43 -0.69 0.11 118.68 123.75 3jty s LEU 91 Ca -0.01 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.19 3jty s LEU 91 Cb -0.18 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.88 3jty s LEU 91 CO -0.01 -0.17 -0.08 -0.47 0.23 0.00 0.00 176.35 175.84 3jty s TYR 92 N 1.44 0.84 -0.01 0.29 5.04 -0.62 -1.14 117.35 123.19 3jty s TYR 92 Ca -0.02 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.42 3jty s TYR 92 Cb -0.17 -0.60 0.01 0.00 0.35 0.00 0.00 41.96 41.56 3jty s TYR 92 CO -0.08 -0.08 -0.00 0.45 -1.34 0.00 0.00 175.55 174.51 3jty s SER 93 N 0.13 0.14 0.11 4.32 0.15 -0.29 -0.46 113.70 117.81 3jty s SER 93 Ca -0.02 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 56.72 3jty s SER 93 Cb -0.07 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 3jty s SER 93 CO 0.00 -0.03 -0.24 -1.48 1.20 0.00 0.00 173.24 172.69 3jty s LEU 94 N 0.34 2.29 0.00 3.45 0.05 -0.35 -1.03 118.68 123.43 3jty s LEU 94 Ca -0.03 -0.69 -0.27 0.00 0.05 0.00 0.00 54.13 53.18 3jty s LEU 94 Cb -0.05 -1.04 -0.04 0.00 -2.05 0.00 0.00 46.19 43.01 3jty s LEU 94 CO -0.01 0.12 0.87 -0.75 -0.55 0.00 0.00 176.35 176.03 3jty s LYS 95 N -1.88 4.53 -0.23 1.48 2.20 0.94 -1.64 119.74 125.15 3jty s LYS 95 Ca 0.10 1.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 3jty s LYS 95 Cb -0.10 -3.43 -0.15 0.00 -1.51 0.00 0.00 37.83 32.64 3jty s LYS 95 CO 0.05 0.06 -0.21 1.28 -0.36 0.00 0.00 175.35 176.17 3jty n LEU 96 N 3.57 2.95 -3.95 5.43 4.77 0.14 -4.94 117.00 124.98 3jty n LEU 96 Ca 0.02 -0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 3jty n LEU 96 Cb 0.51 -0.80 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 3jty n LEU 96 CO 0.50 0.88 -0.28 -0.62 -1.33 0.00 0.00 177.39 176.54 3jty s ASP 97 N -6.24 0.19 0.00 -1.43 2.15 -0.95 -4.98 116.67 105.41 3jty s ASP 97 Ca -0.31 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.20 3jty s ASP 97 Cb 0.08 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.86 3jty s ASP 97 CO 0.52 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.74 3jty n GLY 98 N 1.25 4.03 0.00 2.66 0.00 -1.26 -1.80 105.19 110.07 3jty n GLY 98 Ca -0.22 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3jty n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jty n GLY 99 N -0.05 5.04 3.77 -0.02 0.00 -1.26 -4.84 105.19 107.83 3jty n GLY 99 Ca 0.00 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 3jty n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jty s LYS 100 N -0.72 3.49 0.00 1.61 -2.85 -1.26 -3.34 119.74 116.67 3jty s LYS 100 Ca 0.00 1.68 0.00 0.00 -1.00 0.00 0.00 55.97 56.65 3jty s LYS 100 Cb 0.00 -2.15 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 3jty s LYS 100 CO 0.00 -0.75 0.00 0.41 0.10 0.00 0.00 175.35 175.11 3jty n GLY 101 N 0.27 3.21 0.27 0.59 0.00 -1.26 -4.79 105.19 103.48 3jty n GLY 101 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 3jty n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3jty n THR 102 N -0.89 0.54 -2.07 2.61 -2.24 -1.21 -4.77 114.28 106.24 3jty n THR 102 Ca 0.00 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3jty n THR 102 Cb 0.00 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3jty n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jty n GLY 103 N -0.39 0.51 0.00 3.38 0.00 -1.21 0.75 105.19 108.23 3jty n GLY 103 Ca 0.04 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3jty n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jty n GLY 104 N 5.00 0.94 0.16 -0.02 0.00 -1.26 -4.65 105.19 105.35 3jty n GLY 104 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3jty n GLY 104 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jty h THR 105 N 0.00 1.16 -0.45 2.61 2.02 -1.89 -3.48 112.91 112.88 3jty h THR 105 Ca 0.00 -1.88 -0.18 0.00 0.77 0.00 0.00 66.41 65.12 3jty h THR 105 Cb 0.00 2.07 -0.07 0.00 -1.74 0.00 0.00 68.15 68.41 3jty h THR 105 CO 0.00 0.50 -0.17 0.00 0.37 0.00 0.00 175.52 176.22 3jty n GLN 106 N -3.64 -0.63 0.26 6.66 6.02 -1.26 -4.91 117.38 119.88 3jty n GLN 106 Ca -0.01 0.81 0.14 0.00 -0.01 0.00 0.00 57.00 57.93 3jty n GLN 106 Cb 0.58 -4.69 0.60 0.00 1.02 0.00 0.00 30.24 27.75 3jty n GLN 106 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3jty h LEU 107 N 0.00 0.00 -8.07 1.08 3.38 -1.94 -3.39 115.31 106.37 3jty h LEU 107 Ca -0.19 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.45 3jty h LEU 107 Cb 0.60 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.10 3jty h LEU 107 CO 0.27 0.10 -0.76 -0.76 0.09 0.00 0.00 178.44 177.38 3jty s LEU 108 N -6.50 2.12 0.80 1.67 1.43 -1.26 -4.44 118.68 112.49 3jty s LEU 108 Ca 0.01 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 3jty s LEU 108 Cb 0.10 -0.30 0.08 0.00 0.03 0.00 0.00 46.19 46.09 3jty s LEU 108 CO 0.58 -0.03 1.21 -2.84 0.23 0.00 0.00 176.35 175.50 3jty s PRO 109 N -0.78 1.70 -0.03 1.29 0.02 -1.20 -4.88 135.00 131.12 3jty s PRO 109 Ca -0.02 1.76 0.07 0.00 0.02 0.00 0.00 61.00 62.83 3jty s PRO 109 Cb -0.06 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 3jty s PRO 109 CO 0.00 -2.17 -0.23 -1.17 -0.33 0.00 0.00 177.00 173.10 3jty s LEU 110 N -5.63 2.04 0.93 -5.54 0.20 -1.26 -1.50 118.68 107.92 3jty s LEU 110 Ca 0.73 -0.45 -0.14 0.00 0.69 0.00 0.00 54.13 54.97 3jty s LEU 110 Cb -0.29 -1.25 0.19 0.00 -0.43 0.00 0.00 46.19 44.41 3jty s LEU 110 CO 0.50 0.26 1.28 -0.62 -0.29 0.00 0.00 176.35 177.48 3jty s ASP 111 N -0.36 3.30 0.16 3.68 3.68 -0.10 -4.93 116.67 122.10 3jty s ASP 111 Ca 0.04 0.20 -0.15 0.00 2.13 0.00 0.00 52.55 54.76 3jty s ASP 111 Cb -0.11 -0.29 0.06 0.00 -1.45 0.00 0.00 42.92 41.13 3jty s ASP 111 CO 0.01 -2.60 1.80 1.12 0.13 0.00 0.00 175.17 175.63 3jty h HIS 112 N -1.49 0.48 -0.13 -5.34 -0.00 -2.01 -3.05 115.15 103.61 3jty h HIS 112 Ca -0.43 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 3jty h HIS 112 Cb 1.24 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 3jty h HIS 112 CO -1.00 0.28 0.00 -0.40 -0.00 0.00 0.00 177.93 176.81 3jty n ASP 113 N -4.84 1.52 0.00 3.10 5.68 -1.26 -4.85 116.55 115.89 3jty n ASP 113 Ca 0.02 -2.12 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 3jty n ASP 113 Cb 0.07 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 3jty n ASP 113 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jty n GLY 114 N 0.37 0.76 3.65 6.12 0.00 -1.15 -4.96 105.19 109.97 3jty n GLY 114 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3jty n GLY 114 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3jty s ARG 115 N -0.56 4.16 0.24 1.61 1.04 -1.26 -4.30 118.95 119.89 3jty s ARG 115 Ca 0.00 0.35 -0.30 0.00 -1.04 0.00 0.00 55.73 54.74 3jty s ARG 115 Cb 0.00 -3.58 -0.10 0.00 -2.04 0.00 0.00 34.95 29.23 3jty s ARG 115 CO 0.00 -0.17 1.47 -2.14 -0.04 0.00 0.00 175.30 174.42 3jty s PRO 116 N 1.71 4.25 0.66 3.89 0.02 -1.26 -0.93 135.00 143.34 3jty s PRO 116 Ca 0.22 2.33 -0.18 0.00 0.02 0.00 0.00 61.00 63.40 3jty s PRO 116 Cb -0.15 -3.11 -0.00 0.00 0.02 0.00 0.00 34.50 31.25 3jty s PRO 116 CO 0.09 -0.46 1.28 0.00 -0.33 0.00 0.00 177.00 177.58 3jty s ALA 117 N 0.17 2.33 0.19 -1.55 0.00 -0.56 -4.91 121.76 117.42 3jty s ALA 117 Ca 0.61 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 3jty s ALA 117 Cb -0.42 -3.54 0.10 0.00 0.00 0.00 0.00 23.12 19.26 3jty s ALA 117 CO 0.42 -1.65 1.48 -0.44 0.00 0.00 0.00 175.76 175.57 3jty h ASP 118 N 0.41 0.50 -5.14 0.00 3.32 -1.93 -3.42 116.42 110.16 3jty h ASP 118 Ca -0.50 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.20 3jty h ASP 118 Cb 1.33 -0.15 -0.11 0.00 0.22 0.00 0.00 39.33 40.62 3jty h ASP 118 CO 0.52 1.02 -0.09 0.54 -1.72 0.00 0.00 179.24 179.51 3jty s ASN 119 N -6.95 -0.16 0.22 6.45 2.20 -1.26 -0.04 114.94 115.41 3jty s ASN 119 Ca -0.06 -0.59 -0.13 0.00 -0.94 0.00 0.00 52.86 51.13 3jty s ASN 119 Cb 0.11 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 3jty s ASN 119 CO 0.83 -0.98 0.46 0.72 -2.94 0.00 0.00 177.10 175.19 3jty s PHE 120 N -3.90 0.25 0.00 1.54 -0.00 -0.20 -5.00 117.98 110.68 3jty s PHE 120 Ca 0.11 -0.61 0.00 0.00 -0.00 0.00 0.00 56.93 56.43 3jty s PHE 120 Cb 0.01 0.20 0.00 0.00 -0.00 0.00 0.00 43.02 43.23 3jty s PHE 120 CO -0.03 -0.93 0.00 0.41 -0.00 0.00 0.00 175.22 174.67 3jty n GLY 121 N -0.34 -0.66 3.53 1.99 0.00 -1.26 -1.13 105.19 107.32 3jty n GLY 121 Ca -0.05 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 3jty n GLY 121 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3jty s ARG 122 N -2.00 1.32 -0.18 1.61 1.70 -0.29 -4.82 118.95 116.29 3jty s ARG 122 Ca 0.00 -0.56 -0.05 0.00 -0.47 0.00 0.00 55.73 54.64 3jty s ARG 122 Cb 0.00 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 3jty s ARG 122 CO 0.00 -0.59 0.01 -1.17 -1.08 0.00 0.00 175.30 172.47 3jty s LEU 123 N -2.76 3.44 -0.15 -1.89 2.96 -1.26 -1.71 118.68 117.32 3jty s LEU 123 Ca 0.04 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3jty s LEU 123 Cb -0.02 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3jty s LEU 123 CO -0.08 0.13 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.19 3jty s GLY 124 N 0.59 1.67 -0.02 7.98 0.00 0.24 -4.97 107.32 112.80 3jty s GLY 124 Ca -0.00 -0.84 0.05 0.00 0.00 0.00 0.00 44.72 43.93 3jty s GLY 124 CO 0.02 -0.11 -0.18 0.14 0.00 0.00 0.00 173.10 172.98 3jty s VAL 125 N 0.35 1.43 -0.00 1.40 1.01 -1.26 0.83 120.40 124.16 3jty s VAL 125 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3jty s VAL 125 Cb -0.15 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3jty s VAL 125 CO 0.04 0.41 -0.00 0.00 0.00 0.00 0.00 175.10 175.54 3jty s ALA 126 N -0.27 0.05 -0.07 5.51 0.00 -0.45 -0.96 121.76 125.57 3jty s ALA 126 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 3jty s ALA 126 Cb -0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 3jty s ALA 126 CO 0.00 0.00 -0.00 -0.06 0.00 0.00 0.00 175.76 175.70 3jty s PHE 127 N 0.05 3.13 0.10 0.00 0.08 0.55 -0.96 117.98 120.93 3jty s PHE 127 Ca -0.00 0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.25 3jty s PHE 127 Cb -0.01 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 3jty s PHE 127 CO -0.00 0.46 -0.12 -1.59 -0.10 0.00 0.00 175.22 173.87 3jty s LYS 128 N -1.02 0.89 -0.05 0.44 -2.85 -0.66 -1.12 119.74 115.37 3jty s LYS 128 Ca 0.15 -1.15 -0.06 0.00 -1.00 0.00 0.00 55.97 53.91 3jty s LYS 128 Cb -0.11 -0.67 0.01 0.00 -2.06 0.00 0.00 37.83 35.00 3jty s LYS 128 CO 0.04 0.12 0.16 0.00 0.10 0.00 0.00 175.35 175.77 3jty s ALA 129 N -2.18 -0.40 -0.05 0.59 0.00 -0.97 -1.31 121.76 117.43 3jty s ALA 129 Ca 0.05 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.46 3jty s ALA 129 Cb -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3jty s ALA 129 CO 0.01 -0.10 -0.22 0.50 0.00 0.00 0.00 175.76 175.96 3jty s ARG 130 N -0.10 2.19 -0.21 0.00 3.52 -0.48 -1.17 118.95 122.70 3jty s ARG 130 Ca -0.02 -0.78 -0.03 0.00 -0.13 0.00 0.00 55.73 54.77 3jty s ARG 130 Cb -0.02 -1.89 0.07 0.00 -1.56 0.00 0.00 34.95 31.55 3jty s ARG 130 CO 0.00 0.33 0.07 -1.17 -0.81 0.00 0.00 175.30 173.73 3jty s LEU 131 N -0.11 0.93 0.00 -0.88 2.96 -0.27 -1.32 118.68 119.99 3jty s LEU 131 Ca -0.03 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.00 3jty s LEU 131 Cb -0.12 -0.48 0.00 0.00 0.50 0.00 0.00 46.19 46.09 3jty s LEU 131 CO 0.03 -0.35 0.00 -0.24 -1.32 0.00 0.00 176.35 174.47 3jty n SER 132 N 5.13 0.00 -0.86 3.68 2.88 -1.26 -1.78 113.62 121.41 3jty n SER 132 Ca -0.07 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.52 3jty n SER 132 Cb 0.47 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.04 3jty n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3jty n GLN 133 N 0.00 0.80 -4.97 -1.46 1.13 -1.26 -5.06 117.38 106.56 3jty n GLN 133 Ca 0.00 -2.49 -0.32 0.00 -1.94 0.00 0.00 57.00 52.24 3jty n GLN 133 Cb 0.00 -0.89 -0.14 0.00 0.11 0.00 0.00 30.24 29.32 3jty n GLN 133 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3jty s THR 134 N -1.65 2.79 0.04 5.09 2.01 -0.73 -1.00 115.64 122.18 3jty s THR 134 Ca 0.32 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.57 3jty s THR 134 Cb 0.33 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3jty s THR 134 CO -0.09 0.57 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.55 3jty s GLU 135 N -0.36 1.09 0.07 4.92 2.12 0.03 -1.11 118.70 125.46 3jty s GLU 135 Ca 0.03 -0.79 0.04 0.00 0.36 0.00 0.00 54.97 54.61 3jty s GLU 135 Cb -0.12 -1.13 -0.03 0.00 0.26 0.00 0.00 34.13 33.11 3jty s GLU 135 CO 0.02 0.28 -0.12 0.08 -0.54 0.00 0.00 175.26 174.99 3jty s VAL 136 N -0.79 0.95 -0.26 3.70 1.01 -0.32 -0.91 120.40 123.78 3jty s VAL 136 Ca 0.04 -1.33 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 3jty s VAL 136 Cb -0.08 -1.03 0.14 0.00 0.00 0.00 0.00 36.38 35.41 3jty s VAL 136 CO 0.01 -0.33 0.50 -0.75 0.00 0.00 0.00 175.10 174.53 3jty s LYS 137 N -1.94 0.45 0.10 2.72 2.20 -0.31 -2.30 119.74 120.67 3jty s LYS 137 Ca -0.02 0.94 0.10 0.00 -0.36 0.00 0.00 55.97 56.63 3jty s LYS 137 Cb -0.08 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 3jty s LYS 137 CO 0.01 -0.48 -0.25 0.14 -0.36 0.00 0.00 175.35 174.42 3jty s VAL 138 N 2.72 2.38 -0.34 4.02 -7.23 -0.27 -1.39 120.40 120.28 3jty s VAL 138 Ca 0.09 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3jty s VAL 138 Cb -0.14 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.77 3jty s VAL 138 CO -0.17 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 3jty n GLY 139 N 1.13 0.20 3.28 2.32 0.00 -0.63 -0.33 105.19 111.16 3jty n GLY 139 Ca -0.17 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 3jty n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jty s GLU 140 N -0.57 3.16 0.00 1.61 2.12 -0.14 -1.90 118.70 122.98 3jty s GLU 140 Ca 0.00 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.52 3jty s GLU 140 Cb 0.00 -2.42 0.00 0.00 0.26 0.00 0.00 34.13 31.97 3jty s GLU 140 CO 0.00 0.20 0.00 -2.67 -0.54 0.00 0.00 175.26 172.25 3jty n TRP 141 N 3.50 -0.49 -3.75 5.30 2.14 -1.02 -3.95 117.44 119.17 3jty n TRP 141 Ca -0.19 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.03 3jty n TRP 141 Cb 0.53 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.93 3jty n TRP 141 CO 0.00 0.00 0.00 1.41 2.07 0.00 0.00 177.69 181.17 3jty s MET 142 N -1.24 2.59 0.31 -2.67 -2.45 -1.26 -1.90 119.30 112.68 3jty s MET 142 Ca 0.00 -2.72 -0.27 0.00 -1.25 0.00 0.00 55.69 51.44 3jty s MET 142 Cb 0.00 -3.69 -0.09 0.00 1.25 0.00 0.00 34.83 32.30 3jty s MET 142 CO 0.00 -1.19 1.03 -1.25 1.05 0.00 0.00 175.02 174.66 3jty s PRO 143 N -0.40 4.53 -0.56 4.11 0.04 -1.26 -4.91 135.00 136.55 3jty s PRO 143 Ca 0.19 1.58 0.06 0.00 0.04 0.00 0.00 61.00 62.87 3jty s PRO 143 Cb -0.18 -2.95 0.24 0.00 0.04 0.00 0.00 34.50 31.65 3jty s PRO 143 CO -0.05 0.18 0.63 1.33 0.04 0.00 0.00 177.00 179.13 3jty n VAL 144 N 0.77 1.16 -4.03 -0.36 0.24 -1.26 -1.10 118.33 113.74 3jty n VAL 144 Ca 0.01 -4.71 -0.26 0.00 -2.04 0.00 0.00 64.34 57.33 3jty n VAL 144 Cb 0.48 -2.04 -0.05 0.00 -1.47 0.00 0.00 33.84 30.76 3jty n VAL 144 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3jty s LEU 145 N -1.82 4.00 0.40 1.34 1.43 -0.37 -4.96 118.68 118.70 3jty s LEU 145 Ca 0.36 -0.02 0.29 0.00 -1.03 0.00 0.00 54.13 53.73 3jty s LEU 145 Cb 0.13 -2.60 1.23 0.00 0.03 0.00 0.00 46.19 44.98 3jty s LEU 145 CO -0.07 0.07 1.86 -0.65 0.23 0.00 0.00 176.35 177.78 3jty h PRO 146 N 2.34 0.00 -0.01 1.29 0.11 -2.01 -2.71 132.00 131.00 3jty h PRO 146 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jty h PRO 146 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3jty h PRO 146 CO 0.65 0.00 -0.13 0.44 -0.21 0.00 0.00 178.00 178.75 3jty n ILE 147 N -2.62 0.00 -3.35 4.15 -6.64 -1.26 -4.75 119.36 104.89 3jty n ILE 147 Ca 0.01 -0.44 -0.15 0.00 -1.77 0.00 0.00 62.75 60.40 3jty n ILE 147 Cb 0.24 1.23 -0.07 0.00 -1.44 0.00 0.00 39.64 39.60 3jty n ILE 147 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 3jty s LEU 148 N -1.48 -0.22 -0.48 7.28 2.96 -1.04 -4.79 118.68 120.91 3jty s LEU 148 Ca 0.14 -1.44 -0.14 0.00 -0.22 0.00 0.00 54.13 52.48 3jty s LEU 148 Cb 0.11 0.70 0.09 0.00 0.50 0.00 0.00 46.19 47.60 3jty s LEU 148 CO 0.25 -0.26 0.39 -0.60 -1.32 0.00 0.00 176.35 174.81 3jty s ARG 149 N 1.54 2.85 0.11 1.98 3.52 -1.11 -1.23 118.95 126.61 3jty s ARG 149 Ca 0.16 -1.50 -0.32 0.00 -0.13 0.00 0.00 55.73 53.94 3jty s ARG 149 Cb -0.14 -4.08 -0.12 0.00 -1.56 0.00 0.00 34.95 29.05 3jty s ARG 149 CO -0.06 -1.10 1.77 0.43 -0.81 0.00 0.00 175.30 175.53 3jty n SER 150 N 5.12 3.74 -4.72 -2.12 7.64 -0.26 -1.19 113.62 121.83 3jty n SER 150 Ca -0.12 1.02 -0.42 0.00 1.01 0.00 0.00 58.87 60.36 3jty n SER 150 Cb 0.42 -1.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.09 3jty n SER 150 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3jty s ASP 151 N 2.32 7.25 -0.36 6.43 2.15 -1.26 -4.69 116.67 128.52 3jty s ASP 151 Ca 0.82 1.93 0.12 0.00 0.43 0.00 0.00 52.55 55.85 3jty s ASP 151 Cb -0.56 -2.59 0.45 0.00 -0.30 0.00 0.00 42.92 39.92 3jty s ASP 151 CO 0.39 -0.30 1.07 -0.67 -0.17 0.00 0.00 175.17 175.49 3jty n ASP 152 N 3.29 3.34 -1.06 -0.34 2.03 -1.26 -0.05 116.55 122.51 3jty n ASP 152 Ca 0.05 -3.20 0.11 0.00 0.52 0.00 0.00 54.79 52.27 3jty n ASP 152 Cb 0.48 -0.47 0.20 0.00 -0.72 0.00 0.00 41.12 40.61 3jty n ASP 152 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jty n GLY 153 N -0.40 1.67 0.00 0.27 0.00 -1.26 -4.95 105.19 100.52 3jty n GLY 153 Ca 0.26 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3jty n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jty n ARG 154 N 1.34 1.05 -0.03 1.61 5.12 -1.26 -5.07 116.66 119.42 3jty n ARG 154 Ca 0.18 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.98 3jty n ARG 154 Cb 0.57 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.77 3jty n ARG 154 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 3jty h SER 155 N 0.00 -0.05 -4.31 0.55 0.02 -1.80 -3.47 113.55 104.50 3jty h SER 155 Ca 0.00 -0.64 -0.50 0.00 -0.84 0.00 0.00 61.79 59.81 3jty h SER 155 Cb 0.00 0.01 -0.23 0.00 0.14 0.00 0.00 62.40 62.32 3jty h SER 155 CO 0.00 0.69 -0.81 -0.76 -1.14 0.00 0.00 176.83 174.81 3jty s LEU 156 N -8.65 2.23 0.57 5.07 1.43 -1.26 -4.88 118.68 113.19 3jty s LEU 156 Ca -0.15 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.20 3jty s LEU 156 Cb -0.01 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 3jty s LEU 156 CO 0.57 0.04 1.11 -2.16 0.23 0.00 0.00 176.35 176.14 3jty s PRO 157 N -1.49 3.24 0.39 1.29 0.04 -1.26 -4.54 135.00 132.67 3jty s PRO 157 Ca 0.03 1.51 -0.27 0.00 0.04 0.00 0.00 61.00 62.32 3jty s PRO 157 Cb -0.09 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3jty s PRO 157 CO 0.02 -0.92 1.30 -1.14 0.04 0.00 0.00 177.00 176.30 3jty s GLN 158 N -3.54 4.06 0.15 4.56 0.74 0.93 -4.62 119.66 121.95 3jty s GLN 158 Ca 0.70 2.15 0.02 0.00 0.05 0.00 0.00 55.36 58.28 3jty s GLN 158 Cb -0.22 -2.82 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 3jty s GLN 158 CO 0.31 -0.41 -0.01 0.95 -0.55 0.00 0.00 175.29 175.57 3jty s THR 159 N -1.24 0.64 0.09 -0.34 -4.23 -1.06 -4.65 115.64 104.85 3jty s THR 159 Ca 0.55 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 3jty s THR 159 Cb -0.38 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 3jty s THR 159 CO 0.49 -0.56 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.59 3jty s PHE 160 N -3.68 0.85 -0.11 3.99 0.08 -0.80 -0.99 117.98 117.33 3jty s PHE 160 Ca 0.21 -0.84 0.02 0.00 0.12 0.00 0.00 56.93 56.44 3jty s PHE 160 Cb 0.06 -0.50 -0.01 0.00 -0.57 0.00 0.00 43.02 42.00 3jty s PHE 160 CO 0.02 -0.14 -0.18 -0.98 -0.10 0.00 0.00 175.22 173.84 3jty s ARG 161 N -3.42 3.18 0.00 0.44 1.70 -0.43 -2.42 118.95 117.99 3jty s ARG 161 Ca 0.08 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 3jty s ARG 161 Cb 0.02 -2.47 0.00 0.00 -0.57 0.00 0.00 34.95 31.93 3jty s ARG 161 CO -0.04 0.23 0.00 0.41 -1.08 0.00 0.00 175.30 174.82 3jty n GLY 162 N 3.43 -0.70 3.39 3.88 0.00 -0.80 0.40 105.19 114.80 3jty n GLY 162 Ca -0.18 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 3jty n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jty s GLY 163 N 0.00 -0.38 0.03 -0.02 0.00 -0.24 -1.61 107.32 105.10 3jty s GLY 163 Ca 0.00 1.50 0.03 0.00 0.00 0.00 0.00 44.72 46.24 3jty s GLY 163 CO 0.00 1.37 -0.09 1.62 0.00 0.00 0.00 173.10 176.00 3jty s GLN 164 N 0.54 0.63 -0.14 2.90 0.74 -0.49 -1.22 119.66 122.62 3jty s GLN 164 Ca -0.02 -0.61 0.02 0.00 0.05 0.00 0.00 55.36 54.80 3jty s GLN 164 Cb -0.04 -0.53 0.01 0.00 1.10 0.00 0.00 33.01 33.54 3jty s GLN 164 CO -0.03 0.13 -0.20 -1.50 -0.55 0.00 0.00 175.29 173.14 3jty s ILE 165 N -0.88 2.24 -0.09 -2.34 2.07 0.26 -1.16 121.20 121.30 3jty s ILE 165 Ca -0.03 -0.92 0.03 0.00 -1.41 0.00 0.00 60.65 58.31 3jty s ILE 165 Cb -0.07 -1.91 0.01 0.00 0.13 0.00 0.00 42.46 40.62 3jty s ILE 165 CO 0.01 0.54 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.51 3jty s THR 166 N 0.76 1.57 -0.08 4.00 2.01 -0.08 -1.28 115.64 122.53 3jty s THR 166 Ca -0.08 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 3jty s THR 166 Cb -0.16 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 70.98 3jty s THR 166 CO -0.00 0.45 -0.05 -0.55 -0.69 0.00 0.00 174.62 173.78 3jty s SER 167 N 0.66 1.77 -0.27 3.53 0.15 -0.04 -0.79 113.70 118.71 3jty s SER 167 Ca -0.13 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.39 3jty s SER 167 Cb -0.16 -0.65 0.45 0.00 -1.71 0.00 0.00 66.02 63.95 3jty s SER 167 CO 0.04 -0.12 1.19 0.29 1.20 0.00 0.00 173.24 175.84 3jty n LYS 168 N 4.77 3.16 0.16 5.44 5.02 -0.17 -1.21 118.16 135.33 3jty n LYS 168 Ca -0.14 -3.97 0.03 0.00 -2.02 0.00 0.00 58.31 52.21 3jty n LYS 168 Cb 0.50 -2.12 0.41 0.00 -0.02 0.00 0.00 35.03 33.80 3jty n LYS 168 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3jty h GLU 169 N 1.94 0.13 -5.01 1.97 4.39 -1.80 -3.40 114.58 112.80 3jty h GLU 169 Ca 0.28 -0.03 -0.66 0.00 0.34 0.00 0.00 59.36 59.29 3jty h GLU 169 Cb 1.43 -0.02 -0.27 0.00 -0.10 0.00 0.00 28.75 29.79 3jty h GLU 169 CO 0.59 0.33 -0.71 0.42 -1.16 0.00 0.00 179.01 178.48 3jty s ILE 170 N -4.60 3.46 -0.02 3.13 1.01 -1.26 -5.04 121.20 117.87 3jty s ILE 170 Ca -0.05 -0.47 -0.39 0.00 0.00 0.00 0.00 60.65 59.75 3jty s ILE 170 Cb 0.15 -2.57 -0.18 0.00 0.01 0.00 0.00 42.46 39.87 3jty s ILE 170 CO 0.72 0.42 1.34 0.00 0.00 0.00 0.00 174.94 177.42 3jty n ALA 171 N 4.73 -1.62 0.00 9.38 0.00 -1.26 -1.51 120.51 130.22 3jty n ALA 171 Ca -0.18 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3jty n ALA 171 Cb 0.51 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.96 3jty n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jty n GLY 172 N 2.57 3.16 3.78 0.00 0.00 -1.26 -5.01 105.19 108.43 3jty n GLY 172 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3jty n GLY 172 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jty s LEU 173 N 0.00 3.93 -0.14 0.99 2.96 -0.57 -1.52 118.68 124.33 3jty s LEU 173 Ca 0.00 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3jty s LEU 173 Cb 0.00 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.58 3jty s LEU 173 CO 0.00 0.32 0.03 -0.89 -1.32 0.00 0.00 176.35 174.48 3jty s THR 174 N -1.11 0.39 -0.08 3.68 2.01 -0.66 -4.37 115.64 115.51 3jty s THR 174 Ca 0.20 -0.22 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 3jty s THR 174 Cb -0.12 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 3jty s THR 174 CO 0.10 -0.01 0.23 -0.76 -0.69 0.00 0.00 174.62 173.49 3jty s LEU 175 N 1.94 4.42 0.07 4.42 1.43 -0.35 -1.58 118.68 129.02 3jty s LEU 175 Ca 0.02 0.62 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 3jty s LEU 175 Cb -0.15 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3jty s LEU 175 CO -0.07 0.38 -0.19 -0.31 0.23 0.00 0.00 176.35 176.38 3jty s TYR 176 N -1.06 1.68 -0.23 0.29 2.02 -0.24 -0.86 117.35 118.96 3jty s TYR 176 Ca 0.18 -0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 56.29 3jty s TYR 176 Cb -0.13 -0.96 0.06 0.00 -0.40 0.00 0.00 41.96 40.53 3jty s TYR 176 CO 0.07 0.13 0.59 0.20 -1.57 0.00 0.00 175.55 174.98 3jty s GLY 177 N -1.55 -0.46 0.00 0.71 0.00 -0.40 -0.09 107.32 105.53 3jty s GLY 177 Ca 0.05 1.76 0.00 0.00 0.00 0.00 0.00 44.72 46.54 3jty s GLY 177 CO 0.03 1.59 0.00 0.61 0.00 0.00 0.00 173.10 175.33 3jty n GLY 178 N 3.08 -0.57 3.08 0.20 0.00 -0.31 0.89 105.19 111.56 3jty n GLY 178 Ca -0.15 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 3jty n GLY 178 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3jty s GLN 179 N -2.00 0.46 -0.03 1.61 -2.07 -0.36 -1.08 119.66 116.19 3jty s GLN 179 Ca 0.00 -0.47 0.07 0.00 -1.82 0.00 0.00 55.36 53.14 3jty s GLN 179 Cb 0.00 0.18 -0.02 0.00 -1.09 0.00 0.00 33.01 32.08 3jty s GLN 179 CO 0.00 -0.10 -0.23 -0.06 -1.32 0.00 0.00 175.29 173.57 3jty s PHE 180 N -1.47 2.42 -0.22 9.60 0.08 -0.33 -1.08 117.98 126.99 3jty s PHE 180 Ca -0.15 -0.42 0.10 0.00 0.12 0.00 0.00 56.93 56.59 3jty s PHE 180 Cb -0.08 -1.54 -0.14 0.00 -0.57 0.00 0.00 43.02 40.69 3jty s PHE 180 CO 0.01 -0.02 0.31 0.54 -0.10 0.00 0.00 175.22 175.96 3jty n ARG 181 N 2.48 1.84 -3.49 0.44 1.74 0.16 -0.71 116.66 119.13 3jty n ARG 181 Ca -0.16 -0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 56.72 3jty n ARG 181 Cb 0.51 -1.12 -0.04 0.00 -1.02 0.00 0.00 32.46 30.79 3jty n ARG 181 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jty s ALA 182 N -2.36 -1.60 -0.05 7.54 0.00 -1.14 -4.68 121.76 119.47 3jty s ALA 182 Ca -0.00 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 3jty s ALA 182 Cb 0.07 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.65 3jty s ALA 182 CO 0.42 -0.56 0.12 1.21 0.00 0.00 0.00 175.76 176.95 3jty s ASN 183 N -1.99 -0.11 -0.46 0.00 2.47 -0.33 -1.31 114.94 113.21 3jty s ASN 183 Ca -0.05 0.25 0.03 0.00 0.42 0.00 0.00 52.86 53.51 3jty s ASN 183 Cb -0.01 0.20 0.13 0.00 -1.45 0.00 0.00 41.25 40.12 3jty s ASN 183 CO -0.02 -0.09 0.21 -0.55 -3.72 0.00 0.00 177.10 172.94 3jty s SER 184 N 0.56 4.16 1.05 -4.21 0.15 -0.16 -1.89 113.70 113.36 3jty s SER 184 Ca -0.04 -2.69 -0.15 0.00 0.70 0.00 0.00 55.95 53.77 3jty s SER 184 Cb -0.06 -1.41 0.11 0.00 -1.71 0.00 0.00 66.02 62.95 3jty s SER 184 CO -0.02 -0.27 0.37 -2.65 1.20 0.00 0.00 173.24 171.86 3jty n PRO 185 N 3.51 -1.15 -0.05 5.44 -0.02 -1.26 -2.56 135.00 138.91 3jty n PRO 185 Ca 0.05 -0.30 0.10 0.00 -2.02 0.00 0.00 63.50 61.33 3jty n PRO 185 Cb 0.35 -1.87 0.48 0.00 -0.02 0.00 0.00 33.50 32.44 3jty n PRO 185 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3jty h ARG 186 N -1.95 0.43 -1.01 -0.52 0.11 -1.82 -2.38 114.38 107.23 3jty h ARG 186 Ca -0.50 -0.03 -0.49 0.00 0.10 0.00 0.00 59.98 59.06 3jty h ARG 186 Cb 1.32 -0.10 -0.28 0.00 1.11 0.00 0.00 29.97 32.03 3jty h ARG 186 CO 0.38 0.28 0.63 -0.40 0.10 0.00 0.00 179.97 180.96 3jty n ASP 187 N -4.47 4.22 -3.84 0.08 5.75 -1.26 -4.34 116.55 112.69 3jty n ASP 187 Ca 0.07 -3.49 -0.13 0.00 -0.01 0.00 0.00 54.79 51.24 3jty n ASP 187 Cb 0.27 -0.83 -0.14 0.00 -1.03 0.00 0.00 41.12 39.39 3jty n ASP 187 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3jty s ASP 188 N -1.14 -0.02 0.25 -1.12 -1.08 -0.90 -3.20 116.67 109.46 3jty s ASP 188 Ca 0.53 0.08 0.19 0.00 -0.52 0.00 0.00 52.55 52.82 3jty s ASP 188 Cb 0.44 0.05 0.06 0.00 -1.46 0.00 0.00 42.92 42.01 3jty s ASP 188 CO 0.08 -0.04 1.24 0.28 0.52 0.00 0.00 175.17 177.26 3jty h SER 189 N 6.35 0.00 -2.23 -0.34 0.02 -1.87 -3.42 113.55 112.05 3jty h SER 189 Ca -0.29 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.17 3jty h SER 189 Cb 1.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 3jty h SER 189 CO 0.48 0.29 -0.48 -0.94 -1.14 0.00 0.00 176.83 175.04 3jty s SER 190 N -5.99 5.91 0.01 3.07 1.04 -1.26 -4.72 113.70 111.76 3jty s SER 190 Ca 0.02 -0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 3jty s SER 190 Cb 0.08 -1.63 -0.06 0.00 0.10 0.00 0.00 66.02 64.51 3jty s SER 190 CO 0.75 -0.04 0.38 -0.04 0.98 0.00 0.00 173.24 175.28 3jty s MET 191 N -3.84 3.84 0.33 4.02 -1.94 -1.26 -4.38 119.30 116.06 3jty s MET 191 Ca 0.33 0.31 -0.12 0.00 -1.71 0.00 0.00 55.69 54.50 3jty s MET 191 Cb -0.09 -3.16 0.02 0.00 2.01 0.00 0.00 34.83 33.61 3jty s MET 191 CO 0.27 0.67 0.62 -1.54 -0.01 0.00 0.00 175.02 175.03 3jty s SER 192 N -1.24 0.20 0.83 3.03 1.04 -0.79 -4.90 113.70 111.86 3jty s SER 192 Ca 0.25 -1.11 -0.10 0.00 0.48 0.00 0.00 55.95 55.47 3jty s SER 192 Cb -0.16 0.72 0.09 0.00 0.10 0.00 0.00 66.02 66.77 3jty s SER 192 CO 0.14 -1.40 1.11 -1.81 0.98 0.00 0.00 173.24 172.25 3jty s ASP 193 N -3.08 3.94 0.03 7.02 1.01 -1.26 -1.19 116.67 123.14 3jty s ASP 193 Ca 0.21 1.91 -0.09 0.00 0.71 0.00 0.00 52.55 55.28 3jty s ASP 193 Cb -0.03 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3jty s ASP 193 CO 0.13 -2.41 0.34 -0.04 0.21 0.00 0.00 175.17 173.40 3jty s MET 194 N -4.83 3.70 0.41 8.23 -1.94 -0.69 -4.76 119.30 119.43 3jty s MET 194 Ca 0.63 0.10 0.06 0.00 -1.71 0.00 0.00 55.69 54.78 3jty s MET 194 Cb -0.19 -3.07 -0.07 0.00 2.01 0.00 0.00 34.83 33.51 3jty s MET 194 CO 0.57 0.62 0.01 -1.54 -0.01 0.00 0.00 175.02 174.67 3jty s SER 195 N -1.60 3.80 -0.13 3.03 1.04 -1.26 -0.40 113.70 118.19 3jty s SER 195 Ca 0.29 -1.39 -0.29 0.00 0.48 0.00 0.00 55.95 55.03 3jty s SER 195 Cb -0.14 -0.32 -0.02 0.00 0.10 0.00 0.00 66.02 65.65 3jty s SER 195 CO 0.16 -0.49 1.19 -0.32 0.98 0.00 0.00 173.24 174.76 3jty s MET 196 N -3.73 4.30 -0.46 4.02 -2.45 -1.26 -1.72 119.30 117.99 3jty s MET 196 Ca 0.33 1.60 -0.45 0.00 -1.25 0.00 0.00 55.69 55.92 3jty s MET 196 Cb 0.09 -3.65 -0.19 0.00 1.25 0.00 0.00 34.83 32.34 3jty s MET 196 CO 0.17 -0.56 1.78 0.34 1.05 0.00 0.00 175.02 177.80 3jty n PHE 197 N 5.89 1.64 0.00 4.11 -0.00 0.23 -0.78 117.46 128.55 3jty n PHE 197 Ca 0.12 0.93 0.00 0.00 -0.00 0.00 0.00 57.45 58.50 3jty n PHE 197 Cb 0.46 -2.29 0.00 0.00 -0.00 0.00 0.00 39.48 37.65 3jty n PHE 197 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3jty n GLY 198 N 5.04 0.30 2.39 7.13 0.00 -1.26 -4.75 105.19 114.03 3jty n GLY 198 Ca 0.37 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.20 3jty n GLY 198 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jty n LYS 199 N -1.92 1.51 0.30 1.61 5.02 0.04 -4.98 118.16 119.75 3jty n LYS 199 Ca 0.00 -3.70 0.19 0.00 -2.02 0.00 0.00 58.31 52.77 3jty n LYS 199 Cb 0.00 -1.80 1.01 0.00 -0.02 0.00 0.00 35.03 34.22 3jty n LYS 199 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jty h ALA 200 N 2.99 1.36 0.00 7.82 0.00 -1.94 -3.03 119.26 126.47 3jty h ALA 200 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3jty h ALA 200 Cb 0.89 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3jty h ALA 200 CO 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.69 3jty h ALA 201 N 1.86 1.01 -3.25 0.00 0.00 -1.93 -3.43 119.26 113.52 3jty h ALA 201 Ca 0.02 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3jty h ALA 201 Cb 0.19 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.69 3jty h ALA 201 CO -0.00 0.03 -0.79 -0.06 0.00 0.00 0.00 179.25 178.44 3jty s PHE 202 N -3.74 2.79 0.26 0.00 0.08 -1.14 -5.11 117.98 111.11 3jty s PHE 202 Ca 0.00 -0.84 0.09 0.00 0.12 0.00 0.00 56.93 56.31 3jty s PHE 202 Cb 0.10 -1.87 -0.05 0.00 -0.57 0.00 0.00 43.02 40.63 3jty s PHE 202 CO 0.54 -0.34 -0.13 0.95 -0.10 0.00 0.00 175.22 176.13 3jty s THR 203 N 0.58 1.99 -0.04 0.64 -4.23 -1.26 -4.22 115.64 109.11 3jty s THR 203 Ca -0.08 -2.25 -0.16 0.00 -1.18 0.00 0.00 61.69 58.01 3jty s THR 203 Cb -0.16 -2.29 0.03 0.00 1.34 0.00 0.00 72.50 71.43 3jty s THR 203 CO 0.03 -0.42 0.36 -0.55 -0.54 0.00 0.00 174.62 173.50 3jty s SER 204 N -3.44 -0.27 -0.04 3.99 0.15 0.47 -4.98 113.70 109.58 3jty s SER 204 Ca 0.28 0.25 0.13 0.00 0.70 0.00 0.00 55.95 57.30 3jty s SER 204 Cb -0.01 0.40 0.40 0.00 -1.71 0.00 0.00 66.02 65.11 3jty s SER 204 CO 0.12 -0.42 1.33 -0.90 1.20 0.00 0.00 173.24 174.56 3jty n ASP 205 N 1.44 3.32 -3.88 5.45 5.75 -1.26 -1.70 116.55 125.67 3jty n ASP 205 Ca -0.20 -2.23 -0.20 0.00 -0.01 0.00 0.00 54.79 52.14 3jty n ASP 205 Cb 0.56 -0.34 -0.16 0.00 -1.03 0.00 0.00 41.12 40.15 3jty n ASP 205 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3jty s ARG 206 N -1.42 0.80 -0.27 0.11 1.81 -1.26 -4.39 118.95 114.33 3jty s ARG 206 Ca 0.31 -0.09 0.01 0.00 -1.72 0.00 0.00 55.73 54.24 3jty s ARG 206 Cb 0.19 -0.84 0.07 0.00 -0.45 0.00 0.00 34.95 33.93 3jty s ARG 206 CO 0.16 -0.09 -0.01 0.12 -0.68 0.00 0.00 175.30 174.80 3jty s PHE 207 N 0.97 2.48 -0.08 -0.53 5.36 0.12 -2.13 117.98 124.17 3jty s PHE 207 Ca -0.10 -1.95 -0.05 0.00 -0.96 0.00 0.00 56.93 53.87 3jty s PHE 207 Cb -0.14 -1.83 -0.04 0.00 -0.34 0.00 0.00 43.02 40.67 3jty s PHE 207 CO -0.00 -0.82 0.14 -0.80 -1.46 0.00 0.00 175.22 172.28 3jty s ASN 208 N 1.36 6.28 0.02 6.13 0.01 0.07 -1.18 114.94 127.62 3jty s ASN 208 Ca 0.00 0.40 -0.10 0.00 -0.71 0.00 0.00 52.86 52.45 3jty s ASN 208 Cb -0.19 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.49 3jty s ASN 208 CO -0.10 0.36 0.20 0.72 -1.51 0.00 0.00 177.10 176.77 3jty s PHE 209 N -1.11 0.01 -0.01 2.20 -0.71 -0.24 -0.81 117.98 117.31 3jty s PHE 209 Ca 0.19 -0.12 0.01 0.00 -1.04 0.00 0.00 56.93 55.97 3jty s PHE 209 Cb -0.12 -0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.68 3jty s PHE 209 CO 0.08 -0.37 -0.05 -0.65 -1.34 0.00 0.00 175.22 172.90 3jty s GLN 210 N -1.90 0.49 0.20 1.99 1.11 -0.76 -1.17 119.66 119.63 3jty s GLN 210 Ca -0.10 -0.14 -0.03 0.00 0.01 0.00 0.00 55.36 55.10 3jty s GLN 210 Cb -0.04 -0.50 -0.03 0.00 -1.01 0.00 0.00 33.01 31.43 3jty s GLN 210 CO -0.00 0.05 0.18 0.20 0.01 0.00 0.00 175.29 175.73 3jty s GLY 211 N 0.19 1.29 -0.26 3.09 0.00 0.87 -1.35 107.32 111.14 3jty s GLY 211 Ca -0.02 -1.57 -0.11 0.00 0.00 0.00 0.00 44.72 43.03 3jty s GLY 211 CO -0.00 -1.29 0.59 0.00 0.00 0.00 0.00 173.10 172.40 3jty s ALA 212 N -4.13 -1.73 -0.05 3.20 0.00 -0.73 -1.08 121.76 117.24 3jty s ALA 212 Ca 0.36 2.12 0.05 0.00 0.00 0.00 0.00 51.96 54.49 3jty s ALA 212 Cb 0.06 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 3jty s ALA 212 CO 0.11 -0.71 -0.21 -1.21 0.00 0.00 0.00 175.76 173.74 3jty s GLU 213 N 2.43 2.14 -0.28 0.00 2.02 -0.62 -1.59 118.70 122.81 3jty s GLU 213 Ca -0.06 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.21 3jty s GLU 213 Cb -0.10 -1.83 0.08 0.00 0.10 0.00 0.00 34.13 32.37 3jty s GLU 213 CO -0.17 0.30 -0.02 -0.47 0.02 0.00 0.00 175.26 174.91 3jty s TYR 214 N -0.03 2.96 -0.11 1.61 5.04 -0.29 -1.65 117.35 124.89 3jty s TYR 214 Ca -0.04 -2.27 -0.17 0.00 -2.44 0.00 0.00 57.07 52.14 3jty s TYR 214 Cb -0.13 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.06 3jty s TYR 214 CO 0.03 -0.86 0.44 0.00 -1.34 0.00 0.00 175.55 173.81 3jty s ALA 215 N 1.19 3.52 0.00 3.97 0.00 -0.58 -1.88 121.76 127.99 3jty s ALA 215 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.72 3jty s ALA 215 Cb -0.19 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.36 3jty s ALA 215 CO -0.08 0.08 0.00 1.97 0.00 0.00 0.00 175.76 177.73 3jty n PHE 216 N 3.40 -0.17 -3.98 0.00 1.16 0.10 -4.69 117.46 113.27 3jty n PHE 216 Ca -0.09 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.09 3jty n PHE 216 Cb 0.52 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.40 3jty n PHE 216 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3jty n ASN 217 N -1.79 -3.91 -0.57 5.98 5.03 -1.26 -0.67 115.26 118.07 3jty n ASN 217 Ca 0.00 -1.21 -0.07 0.00 0.87 0.00 0.00 54.58 54.16 3jty n ASN 217 Cb 0.00 -2.20 -0.03 0.00 -1.02 0.00 0.00 39.78 36.53 3jty n ASN 217 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3jty n ASP 218 N -2.39 -4.67 0.00 6.41 3.85 -1.26 -1.88 116.55 116.61 3jty n ASP 218 Ca -0.13 0.19 0.00 0.00 -0.71 0.00 0.00 54.79 54.13 3jty n ASP 218 Cb 0.59 -2.83 0.00 0.00 -1.35 0.00 0.00 41.12 37.52 3jty n ASP 218 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3jty n LYS 219 N -1.76 0.00 0.09 0.11 4.76 0.15 -4.96 118.16 116.56 3jty n LYS 219 Ca -0.07 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.21 3jty n LYS 219 Cb 0.37 -2.16 -0.14 0.00 -1.84 0.00 0.00 35.03 31.27 3jty n LYS 219 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 3jty h ARG 220 N 1.85 0.26 -5.31 1.97 -0.00 -0.84 -3.44 114.38 108.87 3jty h ARG 220 Ca 0.00 -0.44 -0.63 0.00 -0.00 0.00 0.00 59.98 58.91 3jty h ARG 220 Cb 0.00 0.16 -0.19 0.00 -0.00 0.00 0.00 29.97 29.94 3jty h ARG 220 CO 0.00 1.17 -0.63 0.99 -0.00 0.00 0.00 179.97 181.50 3jty s THR 221 N -2.64 4.22 -0.02 0.08 2.01 -1.10 -1.51 115.64 116.67 3jty s THR 221 Ca -0.06 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.73 3jty s THR 221 Cb 0.07 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.71 3jty s THR 221 CO 0.87 0.49 -0.09 -1.58 -0.69 0.00 0.00 174.62 173.61 3jty s GLN 222 N 0.32 0.92 0.06 4.92 0.74 -0.07 -0.72 119.66 125.83 3jty s GLN 222 Ca -0.01 -0.32 0.08 0.00 0.05 0.00 0.00 55.36 55.15 3jty s GLN 222 Cb -0.13 -0.87 -0.03 0.00 1.10 0.00 0.00 33.01 33.07 3jty s GLN 222 CO 0.02 0.15 -0.18 -1.50 -0.55 0.00 0.00 175.29 173.22 3jty s ILE 223 N 0.06 2.78 -0.05 -2.34 2.07 -0.79 -0.82 121.20 122.11 3jty s ILE 223 Ca -0.01 -1.27 -0.11 0.00 -1.41 0.00 0.00 60.65 57.85 3jty s ILE 223 Cb -0.07 -2.19 0.02 0.00 0.13 0.00 0.00 42.46 40.35 3jty s ILE 223 CO 0.00 0.28 0.25 0.00 -1.91 0.00 0.00 174.94 173.56 3jty s ALA 224 N -0.97 -0.62 -0.08 1.50 0.00 -0.04 -1.13 121.76 120.41 3jty s ALA 224 Ca 0.15 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 3jty s ALA 224 Cb -0.10 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.90 3jty s ALA 224 CO 0.06 -0.19 0.03 -1.17 0.00 0.00 0.00 175.76 174.50 3jty s LEU 225 N -0.69 0.43 0.05 0.00 2.96 -0.62 -1.45 118.68 119.37 3jty s LEU 225 Ca -0.08 -0.12 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 3jty s LEU 225 Cb -0.04 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 3jty s LEU 225 CO 0.02 -0.24 -0.19 0.26 -1.32 0.00 0.00 176.35 174.89 3jty s TRP 226 N 2.06 1.62 -0.05 5.38 0.52 -0.01 -1.77 118.94 126.69 3jty s TRP 226 Ca 0.04 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.80 3jty s TRP 226 Cb -0.13 -0.96 0.02 0.00 -1.15 0.00 0.00 33.47 31.25 3jty s TRP 226 CO -0.05 0.08 -0.07 1.21 0.02 0.00 0.00 176.95 178.14 3jty s ASN 227 N -1.23 1.29 -0.03 2.95 2.47 -0.46 -1.39 114.94 118.53 3jty s ASN 227 Ca 0.05 -0.19 0.02 0.00 0.42 0.00 0.00 52.86 53.16 3jty s ASN 227 Cb -0.09 -0.59 0.01 0.00 -1.45 0.00 0.00 41.25 39.14 3jty s ASN 227 CO 0.02 -0.03 -0.06 0.00 -3.72 0.00 0.00 177.10 173.30 3jty s ALA 228 N 0.90 0.71 -0.08 1.71 0.00 0.55 -1.83 121.76 123.72 3jty s ALA 228 Ca -0.11 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.69 3jty s ALA 228 Cb -0.15 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.65 3jty s ALA 228 CO 0.01 0.07 -0.14 1.14 0.00 0.00 0.00 175.76 176.84 3jty s GLN 229 N 0.47 1.90 -0.87 0.00 -2.07 0.01 0.22 119.66 119.32 3jty s GLN 229 Ca -0.07 -0.47 -0.18 0.00 -1.82 0.00 0.00 55.36 52.83 3jty s GLN 229 Cb -0.10 -1.57 0.15 0.00 -1.09 0.00 0.00 33.01 30.39 3jty s GLN 229 CO 0.00 0.01 1.00 -1.17 -1.32 0.00 0.00 175.29 173.82 3jty s LEU 230 N 0.74 5.43 -0.18 2.60 2.96 0.12 -0.75 118.68 129.60 3jty s LEU 230 Ca -0.13 -2.09 -0.41 0.00 -0.22 0.00 0.00 54.13 51.28 3jty s LEU 230 Cb -0.16 -2.35 -0.18 0.00 0.50 0.00 0.00 46.19 44.00 3jty s LEU 230 CO 0.03 -0.98 1.42 1.17 -1.32 0.00 0.00 176.35 176.67 3jty n LYS 231 N 6.01 0.50 -1.07 1.98 4.81 -0.91 -0.23 118.16 129.25 3jty n LYS 231 Ca 0.18 0.18 -0.02 0.00 -0.87 0.00 0.00 58.31 57.77 3jty n LYS 231 Cb 0.48 -1.75 -0.01 0.00 0.02 0.00 0.00 35.03 33.77 3jty n LYS 231 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3jty n ASP 232 N 3.23 -3.65 0.08 3.14 9.92 -1.25 -4.74 116.55 123.28 3jty n ASP 232 Ca 0.24 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 3jty n ASP 232 Cb 0.08 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.20 3jty n ASP 232 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3jty n ILE 233 N -2.81 0.53 -3.65 0.53 5.41 0.68 -2.28 119.36 117.77 3jty n ILE 233 Ca -0.02 0.18 -0.15 0.00 1.00 0.00 0.00 62.75 63.75 3jty n ILE 233 Cb 0.14 -0.97 -0.07 0.00 -0.71 0.00 0.00 39.64 38.03 3jty n ILE 233 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3jty s TYR 234 N -1.82 -0.37 -0.04 1.39 -0.85 -0.76 -1.98 117.35 112.91 3jty s TYR 234 Ca 0.00 0.56 0.06 0.00 -0.52 0.00 0.00 57.07 57.16 3jty s TYR 234 Cb 0.00 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.56 3jty s TYR 234 CO 0.00 -0.52 -0.20 0.45 -1.52 0.00 0.00 175.55 173.76 3jty s SER 235 N -1.47 3.52 0.03 -0.18 0.15 -0.17 0.13 113.70 115.72 3jty s SER 235 Ca -0.10 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.23 3jty s SER 235 Cb -0.02 -0.63 -0.02 0.00 -1.71 0.00 0.00 66.02 63.64 3jty s SER 235 CO 0.04 0.32 -0.09 -1.58 1.20 0.00 0.00 173.24 173.14 3jty s GLN 236 N -0.62 0.59 -0.08 5.44 0.74 0.59 -1.97 119.66 124.35 3jty s GLN 236 Ca 0.09 -0.65 0.02 0.00 0.05 0.00 0.00 55.36 54.87 3jty s GLN 236 Cb -0.11 -0.46 0.01 0.00 1.10 0.00 0.00 33.01 33.56 3jty s GLN 236 CO 0.00 0.10 -0.12 -0.65 -0.55 0.00 0.00 175.29 174.07 3jty s GLN 237 N -1.22 1.79 -0.10 1.67 1.11 -0.27 -0.33 119.66 122.31 3jty s GLN 237 Ca -0.05 -0.43 0.04 0.00 0.01 0.00 0.00 55.36 54.93 3jty s GLN 237 Cb -0.08 -1.51 -0.00 0.00 -1.01 0.00 0.00 33.01 30.41 3jty s GLN 237 CO 0.01 -0.01 -0.22 0.12 0.01 0.00 0.00 175.29 175.19 3jty s PHE 238 N 0.80 2.58 -0.14 0.91 5.36 -0.49 -1.25 117.98 125.75 3jty s PHE 238 Ca -0.12 -0.92 0.02 0.00 -0.96 0.00 0.00 56.93 54.95 3jty s PHE 238 Cb -0.15 -1.71 0.01 0.00 -0.34 0.00 0.00 43.02 40.82 3jty s PHE 238 CO 0.02 -0.34 -0.20 0.42 -1.46 0.00 0.00 175.22 173.66 3jty s ILE 239 N 0.25 2.27 -0.06 3.12 1.01 -0.04 -0.83 121.20 126.91 3jty s ILE 239 Ca -0.15 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.63 3jty s ILE 239 Cb -0.17 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.38 3jty s ILE 239 CO 0.08 0.54 -0.17 0.21 0.00 0.00 0.00 174.94 175.59 3jty s ASN 240 N 0.78 2.22 -0.11 3.58 3.84 -0.53 -0.58 114.94 124.15 3jty s ASN 240 Ca -0.07 -0.38 0.02 0.00 0.21 0.00 0.00 52.86 52.64 3jty s ASN 240 Cb -0.16 -0.85 0.01 0.00 -0.55 0.00 0.00 41.25 39.71 3jty s ASN 240 CO -0.01 0.11 -0.16 -0.22 -2.79 0.00 0.00 177.10 174.04 3jty s LEU 241 N 0.32 1.78 -0.08 3.21 2.96 0.25 -0.87 118.68 126.25 3jty s LEU 241 Ca -0.11 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 3jty s LEU 241 Cb -0.14 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.41 3jty s LEU 241 CO 0.04 0.03 -0.20 -0.51 -1.32 0.00 0.00 176.35 174.39 3jty s ILE 242 N 0.94 1.70 -0.02 6.68 2.07 -0.00 -0.10 121.20 132.47 3jty s ILE 242 Ca -0.07 -0.82 -0.00 0.00 -1.41 0.00 0.00 60.65 58.35 3jty s ILE 242 Cb -0.15 -1.48 0.03 0.00 0.13 0.00 0.00 42.46 40.99 3jty s ILE 242 CO -0.01 0.48 0.02 -2.28 -1.91 0.00 0.00 174.94 171.24 3jty s HIS 243 N 0.34 0.10 0.05 3.50 5.65 -0.22 -0.89 115.29 123.82 3jty s HIS 243 Ca -0.14 0.10 0.04 0.00 0.25 0.00 0.00 55.06 55.31 3jty s HIS 243 Cb -0.16 -0.30 -0.04 0.00 -1.18 0.00 0.00 32.58 30.90 3jty s HIS 243 CO 0.06 -0.11 -0.02 0.45 -0.65 0.00 0.00 174.74 174.47 3jty s SER 244 N 1.14 4.93 -0.18 9.88 0.15 -0.57 -1.59 113.70 127.46 3jty s SER 244 Ca -0.08 -0.14 -0.06 0.00 0.70 0.00 0.00 55.95 56.37 3jty s SER 244 Cb -0.13 -1.19 0.09 0.00 -1.71 0.00 0.00 66.02 63.08 3jty s SER 244 CO -0.03 0.23 0.36 -1.58 1.20 0.00 0.00 173.24 173.42 3jty s GLN 245 N -1.91 0.27 0.07 5.44 2.00 -0.01 -4.78 119.66 120.74 3jty s GLN 245 Ca 0.22 0.87 -0.31 0.00 -2.00 0.00 0.00 55.36 54.15 3jty s GLN 245 Cb -0.11 0.09 -0.09 0.00 0.80 0.00 0.00 33.01 33.70 3jty s GLN 245 CO 0.14 -0.32 1.76 -2.14 -0.50 0.00 0.00 175.29 174.23 3jty s PRO 246 N 2.54 4.17 -0.37 1.67 0.02 -1.26 -0.15 135.00 141.62 3jty s PRO 246 Ca 0.01 2.45 0.02 0.00 0.02 0.00 0.00 61.00 63.50 3jty s PRO 246 Cb -0.12 -3.71 0.15 0.00 0.02 0.00 0.00 34.50 30.84 3jty s PRO 246 CO -0.12 -0.81 0.28 -1.17 -0.33 0.00 0.00 177.00 174.85 3jty s LEU 247 N 3.04 0.76 0.00 -5.54 0.20 -0.71 -4.97 118.68 111.46 3jty s LEU 247 Ca 0.78 -2.21 0.00 0.00 0.69 0.00 0.00 54.13 53.40 3jty s LEU 247 Cb -0.42 -0.13 0.00 0.00 -0.43 0.00 0.00 46.19 45.21 3jty s LEU 247 CO 0.35 -0.27 0.00 0.61 -0.29 0.00 0.00 176.35 176.75 3jty n GLY 248 N 3.83 0.25 0.00 7.98 0.00 -1.26 -3.03 105.19 112.96 3jty n GLY 248 Ca 0.15 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 45.01 3jty n GLY 248 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3jty n ASP 249 N 1.63 0.00 -4.85 1.61 8.00 -1.26 -4.85 116.55 116.83 3jty n ASP 249 Ca 0.00 -0.42 -0.35 0.00 0.71 0.00 0.00 54.79 54.72 3jty n ASP 249 Cb 0.00 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 3jty n ASP 249 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3jty s TRP 250 N -2.30 3.61 -0.20 1.24 0.52 -1.17 -4.49 118.94 116.15 3jty s TRP 250 Ca 0.31 0.97 0.00 0.00 0.02 0.00 0.00 56.10 57.40 3jty s TRP 250 Cb 0.17 -2.30 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 3jty s TRP 250 CO 0.35 0.47 -0.16 0.99 0.02 0.00 0.00 176.95 178.62 3jty s THR 251 N -1.42 2.36 -0.10 2.01 2.01 -0.64 -1.74 115.64 118.12 3jty s THR 251 Ca 0.36 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 3jty s THR 251 Cb -0.15 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3jty s THR 251 CO 0.19 0.47 0.07 -0.76 -0.69 0.00 0.00 174.62 173.89 3jty s LEU 252 N 1.32 3.97 0.02 4.42 1.43 0.79 -0.62 118.68 129.99 3jty s LEU 252 Ca 0.04 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3jty s LEU 252 Cb -0.14 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3jty s LEU 252 CO -0.10 0.39 -0.05 -0.83 0.23 0.00 0.00 176.35 175.99 3jty s GLY 253 N -0.97 0.31 -0.08 -3.19 0.00 -0.33 -0.83 107.32 102.22 3jty s GLY 253 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.43 3jty s GLY 253 CO 0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 173.10 172.64 3jty s ALA 254 N -0.70 0.95 -0.46 3.20 0.00 -0.62 -0.70 121.76 123.42 3jty s ALA 254 Ca -0.05 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 3jty s ALA 254 Cb -0.05 -0.68 0.11 0.00 0.00 0.00 0.00 23.12 22.49 3jty s ALA 254 CO -0.00 -0.26 0.33 1.21 0.00 0.00 0.00 175.76 177.05 3jty s ASN 255 N 1.45 5.70 -0.26 0.00 3.84 -0.32 -1.05 114.94 124.30 3jty s ASN 255 Ca -0.02 -1.84 -0.10 0.00 0.21 0.00 0.00 52.86 51.11 3jty s ASN 255 Cb -0.13 -2.01 -0.04 0.00 -0.55 0.00 0.00 41.25 38.51 3jty s ASN 255 CO -0.04 -0.67 0.14 -0.76 -2.79 0.00 0.00 177.10 172.98 3jty s LEU 256 N 1.38 3.84 -0.06 3.21 1.02 0.86 -2.03 118.68 126.89 3jty s LEU 256 Ca 0.05 -0.05 0.05 0.00 0.02 0.00 0.00 54.13 54.20 3jty s LEU 256 Cb -0.26 -2.05 -0.00 0.00 0.02 0.00 0.00 46.19 43.90 3jty s LEU 256 CO -0.00 -0.02 -0.21 -0.83 0.02 0.00 0.00 176.35 175.31 3jty s GLY 257 N 1.54 1.15 -0.07 -3.19 0.00 0.10 -0.58 107.32 106.27 3jty s GLY 257 Ca 0.07 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.95 3jty s GLY 257 CO 0.07 -0.43 -0.18 -0.12 0.00 0.00 0.00 173.10 172.44 3jty s PHE 258 N 0.06 1.89 -0.07 1.90 5.36 0.25 -0.18 117.98 127.19 3jty s PHE 258 Ca -0.08 -0.67 0.05 0.00 -0.96 0.00 0.00 56.93 55.28 3jty s PHE 258 Cb -0.14 -1.30 -0.00 0.00 -0.34 0.00 0.00 43.02 41.24 3jty s PHE 258 CO 0.04 -0.27 -0.23 -0.06 -1.46 0.00 0.00 175.22 173.24 3jty s PHE 259 N 0.32 2.30 -0.10 10.12 0.08 0.07 -0.87 117.98 129.90 3jty s PHE 259 Ca -0.11 -0.79 0.03 0.00 0.12 0.00 0.00 56.93 56.18 3jty s PHE 259 Cb -0.15 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 3jty s PHE 259 CO 0.05 -0.28 -0.21 -0.47 -0.10 0.00 0.00 175.22 174.20 3jty s TYR 260 N 0.10 2.38 0.01 0.36 5.04 -0.38 0.17 117.35 125.02 3jty s TYR 260 Ca -0.10 -1.02 0.00 0.00 -2.44 0.00 0.00 57.07 53.52 3jty s TYR 260 Cb -0.15 -1.62 -0.01 0.00 0.35 0.00 0.00 41.96 40.53 3jty s TYR 260 CO 0.05 -0.44 -0.03 0.20 -1.34 0.00 0.00 175.55 173.99 3jty s GLY 261 N 0.52 0.21 0.31 8.97 0.00 0.09 -1.11 107.32 116.31 3jty s GLY 261 Ca -0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 3jty s GLY 261 CO 0.05 -0.44 0.39 -1.59 0.00 0.00 0.00 173.10 171.52 3jty s LYS 262 N -0.91 1.73 0.61 2.90 -2.85 -0.83 -1.47 119.74 118.92 3jty s LYS 262 Ca -0.09 -1.71 -0.18 0.00 -1.00 0.00 0.00 55.97 52.99 3jty s LYS 262 Cb -0.06 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 3jty s LYS 262 CO -0.00 -0.69 1.23 -1.83 0.10 0.00 0.00 175.35 174.16 3jty s GLU 263 N -3.42 2.82 0.11 1.78 1.03 -1.19 -1.00 118.70 118.82 3jty s GLU 263 Ca 0.32 1.88 0.10 0.00 0.03 0.00 0.00 54.97 57.30 3jty s GLU 263 Cb 0.01 -1.90 -0.04 0.00 -0.80 0.00 0.00 34.13 31.40 3jty s GLU 263 CO 0.19 -1.34 -0.24 0.34 -1.33 0.00 0.00 175.26 172.87 3jty s ASP 264 N -1.58 2.98 1.32 0.83 2.15 -0.84 -4.45 116.67 117.09 3jty s ASP 264 Ca 0.79 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 53.06 3jty s ASP 264 Cb -0.32 -0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.11 3jty s ASP 264 CO 0.35 0.14 0.00 0.61 -0.17 0.00 0.00 175.17 176.10 3jty n GLY 265 N 1.05 3.52 0.49 2.66 0.00 -1.26 -1.45 105.19 110.20 3jty n GLY 265 Ca -0.19 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3jty n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jty n SER 266 N 5.78 1.49 -3.39 1.61 3.41 -1.26 -4.98 113.62 116.29 3jty n SER 266 Ca 0.00 -1.57 -0.19 0.00 -0.26 0.00 0.00 58.87 56.85 3jty n SER 266 Cb 0.00 -0.04 0.05 0.00 -0.26 0.00 0.00 64.21 63.96 3jty n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jty n ALA 267 N 0.18 -2.52 0.31 7.33 0.00 -0.53 -4.86 120.51 120.41 3jty n ALA 267 Ca 0.18 -0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.76 3jty n ALA 267 Cb 0.33 -4.54 0.73 0.00 0.00 0.00 0.00 19.45 15.97 3jty n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jty h ARG 268 N -1.13 0.00 -0.26 0.00 3.08 -1.72 -2.78 114.38 111.57 3jty h ARG 268 Ca -0.55 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.48 3jty h ARG 268 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 3jty h ARG 268 CO 0.43 0.00 -0.00 0.00 -1.07 0.00 0.00 179.97 179.33 3jty n ALA 269 N -1.96 3.08 0.00 0.04 0.00 -1.26 -4.89 120.51 115.52 3jty n ALA 269 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 53.44 51.04 3jty n ALA 269 Cb 0.20 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3jty n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jty n GLY 270 N -0.62 0.07 3.76 0.00 0.00 -1.05 -4.86 105.19 102.50 3jty n GLY 270 Ca 0.22 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3jty n GLY 270 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jty s ASP 271 N -1.09 7.01 0.02 1.61 1.11 -1.26 -4.76 116.67 119.31 3jty s ASP 271 Ca 0.00 2.48 -0.02 0.00 0.18 0.00 0.00 52.55 55.19 3jty s ASP 271 Cb 0.00 -2.64 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 3jty s ASP 271 CO 0.00 -0.35 0.01 -0.04 1.18 0.00 0.00 175.17 175.97 3jty s MET 272 N -1.55 0.38 -0.11 8.23 -1.94 -1.26 -4.96 119.30 118.10 3jty s MET 272 Ca 0.47 -0.63 -0.08 0.00 -1.71 0.00 0.00 55.69 53.75 3jty s MET 272 Cb -0.36 0.14 0.04 0.00 2.01 0.00 0.00 34.83 36.66 3jty s MET 272 CO 0.47 -0.07 0.27 -2.00 -0.01 0.00 0.00 175.02 173.67 3jty s GLU 273 N -1.71 0.27 -0.15 2.03 2.12 -1.26 -3.19 118.70 116.82 3jty s GLU 273 Ca -0.13 0.46 -0.11 0.00 0.36 0.00 0.00 54.97 55.54 3jty s GLU 273 Cb -0.08 0.03 0.04 0.00 0.26 0.00 0.00 34.13 34.39 3jty s GLU 273 CO -0.01 -0.09 0.37 1.21 -0.54 0.00 0.00 175.26 176.20 3jty s ASN 274 N 0.65 -0.42 -0.10 -1.70 2.47 -0.55 -1.08 114.94 114.22 3jty s ASN 274 Ca -0.04 0.78 0.03 0.00 0.42 0.00 0.00 52.86 54.04 3jty s ASN 274 Cb -0.06 0.73 0.01 0.00 -1.45 0.00 0.00 41.25 40.49 3jty s ASN 274 CO -0.04 -0.15 -0.18 -0.13 -3.72 0.00 0.00 177.10 172.88 3jty s ARG 275 N 0.68 2.40 -0.17 0.43 0.52 0.24 -0.73 118.95 122.32 3jty s ARG 275 Ca -0.04 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 3jty s ARG 275 Cb -0.05 -1.94 0.01 0.00 0.52 0.00 0.00 34.95 33.49 3jty s ARG 275 CO -0.05 0.03 -0.16 0.99 0.02 0.00 0.00 175.30 176.13 3jty s THR 276 N 0.72 2.45 -0.19 0.02 2.01 0.13 -0.87 115.64 119.91 3jty s THR 276 Ca -0.12 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 60.98 3jty s THR 276 Cb -0.16 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 3jty s THR 276 CO 0.02 0.51 0.07 0.26 -0.69 0.00 0.00 174.62 174.80 3jty s TRP 277 N 1.12 3.24 -0.06 4.92 0.52 -0.33 -0.75 118.94 127.60 3jty s TRP 277 Ca 0.00 0.05 0.01 0.00 0.02 0.00 0.00 56.10 56.19 3jty s TRP 277 Cb -0.14 -2.10 0.02 0.00 -1.15 0.00 0.00 33.47 30.10 3jty s TRP 277 CO -0.06 0.12 -0.08 0.45 0.02 0.00 0.00 176.95 177.39 3jty s SER 278 N 0.49 1.51 -0.04 2.95 0.15 0.74 -1.78 113.70 117.73 3jty s SER 278 Ca 0.03 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.44 3jty s SER 278 Cb -0.13 -0.67 0.03 0.00 -1.71 0.00 0.00 66.02 63.55 3jty s SER 278 CO 0.01 -0.03 0.06 -0.83 1.20 0.00 0.00 173.24 173.64 3jty s GLY 279 N 0.97 0.22 -0.21 9.45 0.00 -0.19 0.02 107.32 117.59 3jty s GLY 279 Ca -0.10 0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.81 3jty s GLY 279 CO 0.00 1.36 -0.12 -2.27 0.00 0.00 0.00 173.10 172.07 3jty s LEU 280 N 2.13 2.48 -0.19 0.66 2.96 -0.86 -0.41 118.68 125.46 3jty s LEU 280 Ca 0.05 -0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 53.00 3jty s LEU 280 Cb -0.12 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.22 3jty s LEU 280 CO -0.03 -0.12 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.42 3jty s PHE 281 N 1.31 2.88 0.11 5.38 0.08 -0.14 -1.17 117.98 126.44 3jty s PHE 281 Ca -0.02 -0.99 0.10 0.00 0.12 0.00 0.00 56.93 56.15 3jty s PHE 281 Cb -0.16 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 3jty s PHE 281 CO -0.09 -0.50 -0.26 -1.54 -0.10 0.00 0.00 175.22 172.73 3jty s SER 282 N 1.13 3.20 -0.20 1.36 1.04 0.13 -0.62 113.70 119.73 3jty s SER 282 Ca 0.01 -0.71 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 3jty s SER 282 Cb -0.14 -0.22 0.06 0.00 0.10 0.00 0.00 66.02 65.81 3jty s SER 282 CO -0.03 0.18 0.04 0.00 0.98 0.00 0.00 173.24 174.42 3jty s ALA 283 N -1.02 0.99 -0.21 5.32 0.00 0.14 -1.19 121.76 125.80 3jty s ALA 283 Ca 0.13 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 3jty s ALA 283 Cb -0.10 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 3jty s ALA 283 CO 0.05 -1.21 0.14 0.21 0.00 0.00 0.00 175.76 174.95 3jty s LYS 284 N 1.87 4.17 -0.26 0.00 2.20 0.20 -0.49 119.74 127.43 3jty s LYS 284 Ca -0.00 -0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.37 3jty s LYS 284 Cb -0.17 -3.44 0.14 0.00 -1.51 0.00 0.00 37.83 32.85 3jty s LYS 284 CO -0.09 0.26 0.36 -0.47 -0.36 0.00 0.00 175.35 175.05 3jty s TYR 285 N 0.46 -0.76 0.00 4.03 5.04 -0.67 -1.62 117.35 123.84 3jty s TYR 285 Ca 0.08 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 3jty s TYR 285 Cb -0.11 -0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.06 3jty s TYR 285 CO -0.01 -0.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.80 3jty n GLY 286 N 5.35 2.75 0.68 8.97 0.00 -1.26 -1.81 105.19 119.87 3jty n GLY 286 Ca -0.02 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3jty n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jty n GLY 287 N 0.00 0.40 3.80 -0.02 0.00 -1.26 -4.96 105.19 103.16 3jty n GLY 287 Ca 0.00 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 3jty n GLY 287 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jty s ASN 288 N -2.26 7.11 -0.06 1.61 0.01 -0.75 -1.56 114.94 119.03 3jty s ASN 288 Ca 0.23 1.75 -0.03 0.00 -0.71 0.00 0.00 52.86 54.11 3jty s ASN 288 Cb 0.19 -2.56 0.04 0.00 0.41 0.00 0.00 41.25 39.33 3jty s ASN 288 CO 0.45 -0.23 0.12 -0.89 -1.51 0.00 0.00 177.10 175.04 3jty s THR 289 N -1.93 -0.17 -0.11 1.60 2.01 -1.07 -1.66 115.64 114.31 3jty s THR 289 Ca 0.57 0.34 -0.02 0.00 0.31 0.00 0.00 61.69 62.88 3jty s THR 289 Cb -0.13 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 3jty s THR 289 CO 0.18 0.14 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.87 3jty s PHE 290 N 1.98 3.09 -0.06 4.92 0.08 0.35 -1.22 117.98 127.12 3jty s PHE 290 Ca 0.01 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.10 3jty s PHE 290 Cb -0.12 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 3jty s PHE 290 CO -0.05 0.27 -0.16 0.71 -0.10 0.00 0.00 175.22 175.90 3jty s TYR 291 N -0.41 1.67 -0.19 0.36 2.02 0.37 0.26 117.35 121.42 3jty s TYR 291 Ca 0.07 -0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 56.18 3jty s TYR 291 Cb -0.12 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.26 3jty s TYR 291 CO 0.02 -0.23 -0.03 0.08 -1.57 0.00 0.00 175.55 173.82 3jty s VAL 292 N 0.31 3.69 -0.12 0.71 1.01 0.21 -1.69 120.40 124.52 3jty s VAL 292 Ca -0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3jty s VAL 292 Cb -0.14 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3jty s VAL 292 CO 0.03 0.44 0.04 -0.83 0.00 0.00 0.00 175.10 174.79 3jty s GLY 293 N 0.98 1.92 -0.04 4.51 0.00 -0.70 -0.96 107.32 113.03 3jty s GLY 293 Ca 0.01 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 43.99 3jty s GLY 293 CO 0.01 -0.38 -0.09 1.08 0.00 0.00 0.00 173.10 173.72 3jty s LEU 294 N -0.61 1.65 -0.05 0.66 1.43 0.45 -0.44 118.68 121.78 3jty s LEU 294 Ca 0.11 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 3jty s LEU 294 Cb -0.12 -0.60 0.02 0.00 0.03 0.00 0.00 46.19 45.52 3jty s LEU 294 CO 0.02 0.03 0.28 -1.58 0.23 0.00 0.00 176.35 175.34 3jty s GLN 295 N 0.46 0.52 -0.30 1.70 0.74 -0.42 -1.02 119.66 121.33 3jty s GLN 295 Ca -0.08 0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.24 3jty s GLN 295 Cb -0.12 0.23 0.14 0.00 1.10 0.00 0.00 33.01 34.37 3jty s GLN 295 CO 0.01 -0.12 0.76 0.21 -0.55 0.00 0.00 175.29 175.60 3jty s LYS 296 N -0.74 0.49 -0.01 1.67 2.20 -0.73 -1.00 119.74 121.62 3jty s LYS 296 Ca -0.08 1.21 -0.04 0.00 -0.36 0.00 0.00 55.97 56.70 3jty s LYS 296 Cb -0.04 0.73 -0.04 0.00 -1.51 0.00 0.00 37.83 36.96 3jty s LYS 296 CO 0.02 -0.18 0.21 -0.51 -0.36 0.00 0.00 175.35 174.54 3jty s LEU 297 N 2.76 4.37 0.15 5.43 1.02 -0.56 -1.18 118.68 130.67 3jty s LEU 297 Ca -0.04 0.43 0.05 0.00 0.02 0.00 0.00 54.13 54.60 3jty s LEU 297 Cb -0.10 -2.61 -0.04 0.00 0.02 0.00 0.00 46.19 43.46 3jty s LEU 297 CO -0.19 0.27 -0.12 0.42 0.02 0.00 0.00 176.35 176.75 3jty s THR 298 N -1.30 1.32 0.00 5.49 -4.23 -0.05 -4.04 115.64 112.83 3jty s THR 298 Ca 0.27 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3jty s THR 298 Cb -0.13 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.90 3jty s THR 298 CO 0.17 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 3jty n GLY 299 N -0.08 -1.20 0.68 3.99 0.00 -1.26 -0.59 105.19 106.73 3jty n GLY 299 Ca -0.11 -2.10 0.07 0.00 0.00 0.00 0.00 46.02 43.87 3jty n GLY 299 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3jty n ASP 300 N 0.00 2.76 -4.22 1.61 5.68 -0.24 -4.53 116.55 117.61 3jty n ASP 300 Ca 0.00 -1.85 -0.14 0.00 -0.50 0.00 0.00 54.79 52.31 3jty n ASP 300 Cb 0.00 -0.18 -0.10 0.00 -1.14 0.00 0.00 41.12 39.70 3jty n ASP 300 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3jty s SER 301 N -1.04 1.60 0.76 -1.12 0.01 -0.33 -4.82 113.70 108.76 3jty s SER 301 Ca 0.23 -0.96 -0.11 0.00 1.31 0.00 0.00 55.95 56.43 3jty s SER 301 Cb 0.13 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.42 3jty s SER 301 CO 0.18 -0.34 1.08 0.00 0.41 0.00 0.00 173.24 174.58 3jty s ALA 302 N -3.15 2.32 0.28 1.44 0.00 -1.26 -4.35 121.76 117.04 3jty s ALA 302 Ca 0.13 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3jty s ALA 302 Cb 0.02 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.80 3jty s ALA 302 CO -0.01 -1.64 1.55 1.87 0.00 0.00 0.00 175.76 177.54 3jty n TRP 303 N -3.42 2.69 -3.25 0.00 -0.00 -1.06 -4.85 117.44 107.56 3jty n TRP 303 Ca 0.08 0.30 -0.39 0.00 -0.00 0.00 0.00 57.50 57.49 3jty n TRP 303 Cb 0.54 -2.56 -0.06 0.00 -0.00 0.00 0.00 31.31 29.23 3jty n TRP 303 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 3jty s MET 304 N -0.50 4.29 0.18 5.87 -1.94 -1.26 -4.99 119.30 120.95 3jty s MET 304 Ca 0.65 0.67 -0.21 0.00 -1.71 0.00 0.00 55.69 55.08 3jty s MET 304 Cb -0.53 -3.35 0.05 0.00 2.01 0.00 0.00 34.83 33.01 3jty s MET 304 CO 0.49 0.37 0.59 -0.98 -0.01 0.00 0.00 175.02 175.47 3jty s ARG 305 N -0.15 1.37 0.43 2.03 1.70 -1.26 -5.05 118.95 118.02 3jty s ARG 305 Ca 0.30 -0.65 -0.22 0.00 -0.47 0.00 0.00 55.73 54.69 3jty s ARG 305 Cb -0.18 0.57 -0.10 0.00 -0.57 0.00 0.00 34.95 34.67 3jty s ARG 305 CO 0.16 -0.60 0.97 0.08 -1.08 0.00 0.00 175.30 174.83 3jty s VAL 306 N -3.81 4.21 0.51 4.99 1.01 -1.26 0.74 120.40 126.78 3jty s VAL 306 Ca 0.04 1.45 -0.22 0.00 0.00 0.00 0.00 61.98 63.25 3jty s VAL 306 Cb -0.02 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 3jty s VAL 306 CO -0.08 -0.22 1.17 -0.46 0.00 0.00 0.00 175.10 175.50 3jty n ASN 307 N -0.52 1.87 0.00 3.32 6.94 -0.70 -2.14 115.26 124.04 3jty n ASN 307 Ca 0.07 0.97 0.00 0.00 -0.02 0.00 0.00 54.58 55.60 3jty n ASN 307 Cb 0.53 -1.47 0.00 0.00 -2.36 0.00 0.00 39.78 36.48 3jty n ASN 307 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3jty n GLY 308 N 0.99 2.62 3.83 4.83 0.00 -1.26 -4.88 105.19 111.31 3jty n GLY 308 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3jty n GLY 308 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jty s THR 309 N -2.35 4.42 0.49 2.61 -4.23 -0.91 -4.07 115.64 111.60 3jty s THR 309 Ca 0.00 1.28 -0.21 0.00 -1.18 0.00 0.00 61.69 61.58 3jty s THR 309 Cb 0.00 -3.65 -0.07 0.00 1.34 0.00 0.00 72.50 70.12 3jty s THR 309 CO 0.00 -0.55 1.12 -0.55 -0.54 0.00 0.00 174.62 174.10 3jty s SER 310 N -2.74 6.09 0.00 3.99 0.15 -0.33 -4.88 113.70 115.99 3jty s SER 310 Ca 0.60 2.16 0.18 0.00 0.70 0.00 0.00 55.95 59.60 3jty s SER 310 Cb -0.10 -2.59 0.69 0.00 -1.71 0.00 0.00 66.02 62.31 3jty s SER 310 CO 0.25 -0.96 1.50 0.61 1.20 0.00 0.00 173.24 175.84 3jty n GLY 311 N 0.20 0.17 0.43 9.45 0.00 -1.26 -4.64 105.19 109.54 3jty n GLY 311 Ca 0.09 -0.37 0.36 0.00 0.00 0.00 0.00 46.02 46.10 3jty n GLY 311 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jty h GLY 312 N 5.12 1.61 2.00 -0.02 0.00 -1.95 0.99 103.07 110.83 3jty h GLY 312 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3jty h GLY 312 CO 0.00 -0.53 -0.05 -0.84 0.00 0.00 0.00 176.54 175.12 3jty h THR 313 N 0.06 0.57 -4.16 4.70 2.02 -1.88 -3.43 112.91 110.78 3jty h THR 313 Ca 0.84 -0.20 -0.47 0.00 0.77 0.00 0.00 66.41 67.35 3jty h THR 313 Cb 2.52 1.13 0.01 0.00 -1.74 0.00 0.00 68.15 70.07 3jty h THR 313 CO -0.53 0.05 0.37 -0.76 0.37 0.00 0.00 175.52 175.01 3jty s LEU 314 N -7.61 3.69 0.04 2.58 1.43 0.34 -4.99 118.68 114.16 3jty s LEU 314 Ca -0.04 1.63 -0.20 0.00 -1.03 0.00 0.00 54.13 54.49 3jty s LEU 314 Cb 0.14 -4.52 -0.15 0.00 0.03 0.00 0.00 46.19 41.70 3jty s LEU 314 CO 0.57 -0.60 1.31 0.00 0.23 0.00 0.00 176.35 177.86 3jty h ALA 315 N 1.11 0.22 -0.59 4.21 0.00 -1.86 -3.15 119.26 119.19 3jty h ALA 315 Ca -0.47 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 53.89 3jty h ALA 315 Cb 1.19 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 3jty h ALA 315 CO 0.61 0.17 0.23 0.09 0.00 0.00 0.00 179.25 180.35 3jty n ASN 316 N -4.47 4.18 -4.73 0.00 3.02 -1.26 -4.91 115.26 107.09 3jty n ASN 316 Ca -0.06 -2.96 -0.42 0.00 -0.03 0.00 0.00 54.58 51.11 3jty n ASN 316 Cb 0.42 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 3jty n ASN 316 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3jty s ASP 317 N -0.68 6.64 0.12 6.41 2.15 -1.19 -4.54 116.67 125.59 3jty s ASP 317 Ca 0.43 2.61 0.01 0.00 0.43 0.00 0.00 52.55 56.04 3jty s ASP 317 Cb 0.34 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 40.35 3jty s ASP 317 CO 0.11 -0.75 0.05 -1.54 -0.17 0.00 0.00 175.17 172.87 3jty n SER 318 N 3.16 0.89 0.12 -0.34 3.41 -0.68 -5.02 113.62 115.16 3jty n SER 318 Ca 0.10 -1.66 -0.01 0.00 -0.26 0.00 0.00 58.87 57.04 3jty n SER 318 Cb 0.40 0.34 0.27 0.00 -0.26 0.00 0.00 64.21 64.95 3jty n SER 318 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3jty h TYR 319 N 1.22 0.21 0.00 7.33 0.05 -2.01 -3.38 116.97 120.38 3jty h TYR 319 Ca -0.09 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3jty h TYR 319 Cb 0.37 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.06 3jty h TYR 319 CO 0.00 0.54 0.00 0.09 -1.05 0.00 0.00 178.16 177.74 3jty n ASN 320 N -4.06 0.43 -3.69 3.88 3.02 -1.26 -5.04 115.26 108.53 3jty n ASN 320 Ca -0.01 -0.71 -0.13 0.00 -0.03 0.00 0.00 54.58 53.69 3jty n ASN 320 Cb 0.44 0.44 -0.09 0.00 -0.61 0.00 0.00 39.78 39.97 3jty n ASN 320 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jty s ALA 321 N -0.44 -1.30 -0.93 5.41 0.00 -1.26 -5.04 121.76 118.21 3jty s ALA 321 Ca 0.00 1.53 0.23 0.00 0.00 0.00 0.00 51.96 53.72 3jty s ALA 321 Cb 0.00 -0.89 0.12 0.00 0.00 0.00 0.00 23.12 22.35 3jty s ALA 321 CO 0.00 -0.26 1.13 0.43 0.00 0.00 0.00 175.76 177.07 3jty n SER 322 N 3.03 0.72 -2.96 0.00 7.64 -1.26 -1.68 113.62 119.11 3jty n SER 322 Ca -0.15 -0.55 -0.22 0.00 1.01 0.00 0.00 58.87 58.95 3jty n SER 322 Cb 0.56 0.66 0.03 0.00 -1.01 0.00 0.00 64.21 64.46 3jty n SER 322 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3jty n TYR 323 N -1.58 -1.87 -1.14 1.43 4.01 -1.26 -4.31 117.16 112.45 3jty n TYR 323 Ca 0.04 0.47 0.05 0.00 -0.16 0.00 0.00 57.90 58.30 3jty n TYR 323 Cb 0.35 -4.44 0.23 0.00 -0.31 0.00 0.00 39.34 35.17 3jty n TYR 323 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3jty n ASP 324 N -2.47 3.26 -4.72 7.72 5.75 -1.26 -4.81 116.55 120.01 3jty n ASP 324 Ca -0.13 -3.24 -0.30 0.00 -0.01 0.00 0.00 54.79 51.10 3jty n ASP 324 Cb 0.63 -0.55 0.13 0.00 -1.03 0.00 0.00 41.12 40.29 3jty n ASP 324 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3jty s ASN 325 N -2.25 3.75 0.17 -1.12 0.01 -1.26 -2.56 114.94 111.68 3jty s ASN 325 Ca 0.41 1.71 -0.34 0.00 -0.71 0.00 0.00 52.86 53.94 3jty s ASN 325 Cb 0.35 -2.37 -0.14 0.00 0.41 0.00 0.00 41.25 39.50 3jty s ASN 325 CO 0.05 -2.50 1.57 0.00 -1.51 0.00 0.00 177.10 174.72 3jty n ALA 326 N -3.81 1.39 -0.88 0.60 0.00 -1.24 -2.68 120.51 113.90 3jty n ALA 326 Ca 0.08 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3jty n ALA 326 Cb 0.54 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3jty n ALA 326 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3jty n LYS 327 N 3.37 -0.39 -2.33 0.00 5.02 -1.26 -1.96 118.16 120.62 3jty n LYS 327 Ca 0.17 0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 56.14 3jty n LYS 327 Cb 0.29 -3.59 -0.03 0.00 -0.02 0.00 0.00 35.03 31.67 3jty n LYS 327 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3jty s GLU 328 N -0.63 4.45 0.09 1.97 2.12 -1.09 -4.62 118.70 120.99 3jty s GLU 328 Ca 0.00 1.92 0.02 0.00 0.36 0.00 0.00 54.97 57.27 3jty s GLU 328 Cb 0.00 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 3jty s GLU 328 CO 0.00 -0.16 0.19 0.15 -0.54 0.00 0.00 175.26 174.90 3jty s LYS 329 N -0.06 3.27 -0.01 4.30 1.02 -0.57 -1.50 119.74 126.19 3jty s LYS 329 Ca 0.55 -0.56 -0.29 0.00 0.02 0.00 0.00 55.97 55.68 3jty s LYS 329 Cb -0.34 -2.92 0.07 0.00 -0.52 0.00 0.00 37.83 34.12 3jty s LYS 329 CO 0.36 0.57 0.66 -1.54 -0.92 0.00 0.00 175.35 174.49 3jty s SER 330 N -2.67 -0.64 0.26 2.83 1.04 -0.17 -1.07 113.70 113.29 3jty s SER 330 Ca 0.33 0.59 0.07 0.00 0.48 0.00 0.00 55.95 57.42 3jty s SER 330 Cb -0.12 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 3jty s SER 330 CO 0.26 -0.67 -0.08 -1.66 0.98 0.00 0.00 173.24 172.07 3jty s TRP 331 N -1.64 1.91 -0.06 5.02 1.48 -0.80 -1.31 118.94 123.54 3jty s TRP 331 Ca -0.09 -0.67 -0.06 0.00 -1.06 0.00 0.00 56.10 54.22 3jty s TRP 331 Cb -0.00 -1.04 0.02 0.00 -1.16 0.00 0.00 33.47 31.28 3jty s TRP 331 CO 0.06 0.30 0.18 -1.14 -4.06 0.00 0.00 176.95 172.29 3jty s GLN 332 N -3.71 0.23 -0.06 3.25 0.74 0.42 -1.64 119.66 118.90 3jty s GLN 332 Ca 0.28 0.19 0.04 0.00 0.05 0.00 0.00 55.36 55.93 3jty s GLN 332 Cb 0.03 0.11 -0.00 0.00 1.10 0.00 0.00 33.01 34.25 3jty s GLN 332 CO 0.11 -0.03 -0.19 0.08 -0.55 0.00 0.00 175.29 174.71 3jty s VAL 333 N -0.03 1.59 -0.04 1.34 1.01 -0.85 -1.71 120.40 121.70 3jty s VAL 333 Ca -0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 3jty s VAL 333 Cb -0.02 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 35.00 3jty s VAL 333 CO 0.00 0.45 0.22 -0.60 0.00 0.00 0.00 175.10 175.17 3jty s ARG 334 N 0.18 0.42 -0.04 2.72 3.52 -0.68 -1.85 118.95 123.21 3jty s ARG 334 Ca -0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 55.73 55.48 3jty s ARG 334 Cb -0.14 0.19 0.03 0.00 -1.56 0.00 0.00 34.95 33.47 3jty s ARG 334 CO 0.04 -0.09 0.08 -1.58 -0.81 0.00 0.00 175.30 172.94 3jty s HIS 335 N -0.65 -0.01 0.09 5.12 5.65 -0.83 -0.48 115.29 124.17 3jty s HIS 335 Ca -0.07 0.30 0.03 0.00 0.25 0.00 0.00 55.06 55.56 3jty s HIS 335 Cb -0.04 -0.33 -0.04 0.00 -1.18 0.00 0.00 32.58 30.99 3jty s HIS 335 CO 0.01 -0.17 0.12 -0.51 -0.65 0.00 0.00 174.74 173.54 3jty s ASP 336 N 1.73 5.70 -0.03 9.88 1.01 -0.36 -1.43 116.67 133.17 3jty s ASP 336 Ca -0.01 0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.31 3jty s ASP 336 Cb -0.12 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.23 3jty s ASP 336 CO -0.04 0.16 -0.12 -0.47 0.21 0.00 0.00 175.17 174.91 3jty s TYR 337 N -1.46 1.19 -0.44 4.23 5.04 0.99 -2.59 117.35 124.32 3jty s TYR 337 Ca 0.31 -0.31 -0.11 0.00 -2.44 0.00 0.00 57.07 54.52 3jty s TYR 337 Cb -0.12 -0.83 0.08 0.00 0.35 0.00 0.00 41.96 41.45 3jty s TYR 337 CO 0.23 -0.11 0.31 1.21 -1.34 0.00 0.00 175.55 175.85 3jty s ASN 338 N 0.11 5.78 0.00 4.32 3.84 -0.60 -0.80 114.94 127.59 3jty s ASN 338 Ca -0.03 -1.51 0.11 0.00 0.21 0.00 0.00 52.86 51.64 3jty s ASN 338 Cb -0.09 -2.04 0.63 0.00 -0.55 0.00 0.00 41.25 39.20 3jty s ASN 338 CO 0.01 -0.59 1.16 0.49 -2.79 0.00 0.00 177.10 175.39 3jty n PHE 339 N 4.99 0.00 -0.13 0.43 3.72 0.04 -2.34 117.46 124.17 3jty n PHE 339 Ca -0.11 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.39 3jty n PHE 339 Cb 0.43 0.00 0.44 0.00 -0.94 0.00 0.00 39.48 39.40 3jty n PHE 339 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jty h ALA 340 N 2.85 1.88 -0.99 4.37 0.00 -1.74 -1.25 119.26 124.37 3jty h ALA 340 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.02 3jty h ALA 340 Cb 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 3jty h ALA 340 CO 0.00 -0.00 0.62 0.00 0.00 0.00 0.00 179.25 179.87 3jty h ALA 341 N 1.66 1.58 -0.98 0.00 0.00 -1.82 -1.17 119.26 118.52 3jty h ALA 341 Ca 0.29 0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.69 3jty h ALA 341 Cb 0.42 -0.19 -0.30 0.00 0.00 0.00 0.00 17.79 17.72 3jty h ALA 341 CO -0.09 0.17 0.67 1.28 0.00 0.00 0.00 179.25 181.28 3jty n LEU 342 N -4.62 6.85 -0.87 0.00 4.77 -1.03 -4.92 117.00 117.17 3jty n LEU 342 Ca 0.19 -3.74 -0.09 0.00 -0.03 0.00 0.00 56.01 52.34 3jty n LEU 342 Cb 0.38 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 3jty n LEU 342 CO 0.27 1.13 -0.10 0.61 -1.33 0.00 0.00 177.39 177.97 3jty n GLY 343 N -1.11 0.44 2.41 -0.72 0.00 -0.44 -4.97 105.19 100.80 3jty n GLY 343 Ca 0.60 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3jty n GLY 343 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3jty n VAL 344 N -3.49 1.47 -1.74 1.61 0.31 -0.50 -4.99 118.33 111.01 3jty n VAL 344 Ca -0.10 -4.90 -0.36 0.00 -0.01 0.00 0.00 64.34 58.97 3jty n VAL 344 Cb 0.46 -1.86 0.06 0.00 -0.91 0.00 0.00 33.84 31.59 3jty n VAL 344 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3jty s PRO 345 N -2.25 2.57 0.00 5.55 0.04 -1.26 -2.68 135.00 136.97 3jty s PRO 345 Ca 0.40 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.30 3jty s PRO 345 Cb 0.18 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.85 3jty s PRO 345 CO -0.06 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.87 3jty n GLY 346 N 0.55 2.03 3.66 0.56 0.00 -1.26 -4.85 105.19 105.88 3jty n GLY 346 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3jty n GLY 346 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jty s LEU 347 N 0.00 4.08 0.07 0.99 2.96 -1.09 -0.99 118.68 124.70 3jty s LEU 347 Ca 0.00 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3jty s LEU 347 Cb 0.00 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3jty s LEU 347 CO 0.00 0.08 -0.08 0.42 -1.32 0.00 0.00 176.35 175.45 3jty s THR 348 N 0.94 0.69 0.05 3.68 -4.23 -0.85 -0.78 115.64 115.14 3jty s THR 348 Ca 0.07 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 3jty s THR 348 Cb -0.13 -1.14 -0.03 0.00 1.34 0.00 0.00 72.50 72.54 3jty s THR 348 CO 0.03 -0.58 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.24 3jty s LEU 349 N -2.26 2.32 -0.20 4.79 2.96 0.02 -1.98 118.68 124.33 3jty s LEU 349 Ca 0.01 -0.66 -0.13 0.00 -0.22 0.00 0.00 54.13 53.13 3jty s LEU 349 Cb -0.03 -0.12 0.06 0.00 0.50 0.00 0.00 46.19 46.60 3jty s LEU 349 CO -0.01 -0.28 0.49 -0.32 -1.32 0.00 0.00 176.35 174.91 3jty s MET 350 N -2.14 0.51 -0.04 1.98 -2.45 -0.59 -0.00 119.30 116.56 3jty s MET 350 Ca -0.05 0.86 0.02 0.00 -1.25 0.00 0.00 55.69 55.26 3jty s MET 350 Cb -0.06 0.09 0.01 0.00 1.25 0.00 0.00 34.83 36.12 3jty s MET 350 CO -0.01 -0.13 -0.08 -0.80 1.05 0.00 0.00 175.02 175.04 3jty s ASN 351 N 1.16 1.23 0.04 1.11 0.01 -0.51 -0.55 114.94 117.43 3jty s ASN 351 Ca -0.07 -0.19 -0.04 0.00 -0.71 0.00 0.00 52.86 51.85 3jty s ASN 351 Cb -0.06 -0.48 -0.02 0.00 0.41 0.00 0.00 41.25 41.10 3jty s ASN 351 CO -0.11 0.02 0.05 0.00 -1.51 0.00 0.00 177.10 175.55 3jty s ARG 352 N 0.55 0.58 -0.02 -0.60 1.70 0.47 -1.96 118.95 119.66 3jty s ARG 352 Ca -0.09 -0.89 0.01 0.00 -0.47 0.00 0.00 55.73 54.29 3jty s ARG 352 Cb -0.12 0.22 0.01 0.00 -0.57 0.00 0.00 34.95 34.49 3jty s ARG 352 CO 0.01 -0.13 -0.02 -0.47 -1.08 0.00 0.00 175.30 173.61 3jty s TYR 353 N -2.94 0.32 -0.03 5.89 5.04 -0.77 -1.21 117.35 123.64 3jty s TYR 353 Ca -0.02 -0.03 0.02 0.00 -2.44 0.00 0.00 57.07 54.60 3jty s TYR 353 Cb 0.01 -0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.00 3jty s TYR 353 CO -0.06 -0.08 -0.09 0.42 -1.34 0.00 0.00 175.55 174.40 3jty s ILE 354 N 0.54 0.80 -0.12 3.14 1.01 -0.20 -2.00 121.20 124.37 3jty s ILE 354 Ca -0.05 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3jty s ILE 354 Cb -0.08 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.68 3jty s ILE 354 CO -0.01 0.25 -0.20 -0.55 0.00 0.00 0.00 174.94 174.43 3jty s SER 355 N 0.22 2.88 -0.01 3.58 0.15 -0.65 -0.96 113.70 118.91 3jty s SER 355 Ca -0.04 -0.54 0.08 0.00 0.70 0.00 0.00 55.95 56.15 3jty s SER 355 Cb -0.09 -1.32 -0.02 0.00 -1.71 0.00 0.00 66.02 62.88 3jty s SER 355 CO 0.01 0.08 -0.24 -0.83 1.20 0.00 0.00 173.24 173.45 3jty s GLY 356 N 0.76 1.19 0.28 9.45 0.00 0.16 -1.91 107.32 117.26 3jty s GLY 356 Ca -0.09 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.61 3jty s GLY 356 CO 0.00 -0.90 0.21 -1.35 0.00 0.00 0.00 173.10 171.07 3jty s SER 357 N -0.67 1.16 -1.46 1.64 1.04 -0.23 -0.27 113.70 114.90 3jty s SER 357 Ca 0.09 -1.61 -0.05 0.00 0.48 0.00 0.00 55.95 54.86 3jty s SER 357 Cb -0.09 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3jty s SER 357 CO -0.00 -0.97 0.69 -3.20 0.98 0.00 0.00 173.24 170.74 3jty n ASN 358 N -1.05 -6.02 -4.71 7.02 5.15 -1.05 -1.51 115.26 113.08 3jty n ASN 358 Ca 0.05 -0.32 -0.42 0.00 -0.60 0.00 0.00 54.58 53.29 3jty n ASN 358 Cb 0.64 -4.81 -0.03 0.00 -0.53 0.00 0.00 39.78 35.05 3jty n ASN 358 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3jty s VAL 359 N -3.19 4.22 -0.05 3.44 1.01 -0.55 -3.08 120.40 122.21 3jty s VAL 359 Ca 0.34 1.60 0.06 0.00 0.00 0.00 0.00 61.98 63.98 3jty s VAL 359 Cb -0.15 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 3jty s VAL 359 CO 0.42 0.13 -0.22 -1.00 0.00 0.00 0.00 175.10 174.44 3jty s HIS 360 N 0.99 2.50 0.33 5.22 3.76 -0.83 -1.39 115.29 125.87 3jty s HIS 360 Ca 0.57 -0.45 -0.08 0.00 -0.15 0.00 0.00 55.06 54.95 3jty s HIS 360 Cb -0.28 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 31.84 3jty s HIS 360 CO 0.29 -0.03 0.54 0.95 -0.85 0.00 0.00 174.74 175.64 3jty s THR 361 N -0.46 0.00 0.66 1.30 -4.23 0.10 -3.61 115.64 109.40 3jty s THR 361 Ca 0.05 -1.43 0.28 0.00 -1.18 0.00 0.00 61.69 59.42 3jty s THR 361 Cb -0.12 -2.57 0.28 0.00 1.34 0.00 0.00 72.50 71.44 3jty s THR 361 CO 0.01 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.95 3jty h ALA 362 N 2.13 1.39 0.00 3.99 0.00 -2.01 -3.13 119.26 121.62 3jty h ALA 362 Ca -0.28 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3jty h ALA 362 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3jty h ALA 362 CO 0.38 -0.38 -1.32 2.41 0.00 0.00 0.00 179.25 180.34 3jty n THR 363 N -2.88 0.32 -4.15 0.00 -1.04 -1.26 -5.04 114.28 100.23 3jty n THR 363 Ca -0.02 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.05 61.56 3jty n THR 363 Cb 0.42 -0.70 -0.08 0.00 -1.82 0.00 0.00 70.33 68.15 3jty n THR 363 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3jty s VAL 364 N -2.11 4.03 -0.03 12.58 0.11 -1.19 -5.03 120.40 128.77 3jty s VAL 364 Ca -0.08 -0.93 0.08 0.00 -2.93 0.00 0.00 61.98 58.12 3jty s VAL 364 Cb 0.02 -2.90 0.14 0.00 -1.53 0.00 0.00 36.38 32.10 3jty s VAL 364 CO 0.13 0.16 1.06 -1.54 -3.33 0.00 0.00 175.10 171.58 3jty n SER 365 N 0.69 0.58 -1.19 3.54 3.41 -1.26 -0.73 113.62 118.67 3jty n SER 365 Ca -0.11 -2.23 -0.02 0.00 -0.26 0.00 0.00 58.87 56.25 3jty n SER 365 Cb 0.52 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 3jty n SER 365 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3jty n ASP 366 N -0.16 -0.07 -4.76 4.04 5.75 -1.11 -4.80 116.55 115.44 3jty n ASP 366 Ca 0.04 -1.97 -0.34 0.00 -0.01 0.00 0.00 54.79 52.51 3jty n ASP 366 Cb 0.77 0.02 0.03 0.00 -1.03 0.00 0.00 41.12 40.91 3jty n ASP 366 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3jty s GLY 367 N -1.40 2.44 0.27 6.12 0.00 -0.49 -4.52 107.32 109.74 3jty s GLY 367 Ca 0.15 0.76 0.12 0.00 0.00 0.00 0.00 44.72 45.74 3jty s GLY 367 CO -0.07 1.12 -0.20 0.54 0.00 0.00 0.00 173.10 174.49 3jty s LYS 368 N -3.66 1.64 -0.20 2.90 1.02 -1.26 -1.48 119.74 118.69 3jty s LYS 368 Ca 0.72 -1.73 -0.09 0.00 0.02 0.00 0.00 55.97 54.88 3jty s LYS 368 Cb -0.24 -1.73 0.08 0.00 -0.52 0.00 0.00 37.83 35.42 3jty s LYS 368 CO 0.35 0.33 0.46 -2.00 -0.92 0.00 0.00 175.35 173.57 3jty s GLU 369 N -3.43 0.41 -0.02 1.68 2.12 0.62 -2.96 118.70 117.12 3jty s GLU 369 Ca 0.28 0.98 -0.05 0.00 0.36 0.00 0.00 54.97 56.54 3jty s GLU 369 Cb -0.05 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.54 3jty s GLU 369 CO 0.14 -0.20 0.12 1.67 -0.54 0.00 0.00 175.26 176.45 3jty s TRP 370 N 2.02 -0.03 0.02 5.30 -2.14 -0.07 0.37 118.94 124.41 3jty s TRP 370 Ca -0.06 0.06 -0.01 0.00 2.66 0.00 0.00 56.10 58.75 3jty s TRP 370 Cb -0.10 -0.02 -0.02 0.00 -3.10 0.00 0.00 33.47 30.24 3jty s TRP 370 CO -0.14 -0.18 -0.01 0.20 -2.66 0.00 0.00 176.95 174.16 3jty s GLY 371 N -0.71 0.23 -0.13 3.67 0.00 -0.14 -0.70 107.32 109.53 3jty s GLY 371 Ca -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.09 3jty s GLY 371 CO 0.01 -0.64 -0.13 0.50 0.00 0.00 0.00 173.10 172.84 3jty s ARG 372 N -1.53 2.11 0.11 2.90 0.52 -0.67 -1.03 118.95 121.35 3jty s ARG 372 Ca -0.15 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.61 3jty s ARG 372 Cb -0.09 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 3jty s ARG 372 CO -0.01 -0.21 -0.11 -1.21 0.02 0.00 0.00 175.30 173.78 3jty s GLU 373 N 1.45 0.90 -0.06 3.54 2.02 -0.35 -0.42 118.70 125.78 3jty s GLU 373 Ca 0.03 -1.19 -0.12 0.00 0.02 0.00 0.00 54.97 53.70 3jty s GLU 373 Cb -0.13 -0.62 0.02 0.00 0.10 0.00 0.00 34.13 33.50 3jty s GLU 373 CO -0.09 0.10 0.30 0.45 0.02 0.00 0.00 175.26 176.04 3jty s SER 374 N -2.49 -0.23 -0.03 -0.19 0.15 -0.09 -0.39 113.70 110.42 3jty s SER 374 Ca 0.07 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 57.01 3jty s SER 374 Cb -0.03 0.45 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 3jty s SER 374 CO 0.01 -0.29 0.07 -0.70 1.20 0.00 0.00 173.24 173.52 3jty s GLU 375 N -0.67 0.02 -0.14 5.44 2.12 0.29 -1.56 118.70 124.20 3jty s GLU 375 Ca -0.08 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.46 3jty s GLU 375 Cb -0.04 -0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.20 3jty s GLU 375 CO 0.02 -0.12 -0.16 0.08 -0.54 0.00 0.00 175.26 174.55 3jty s VAL 376 N 0.79 2.70 0.06 3.70 1.01 0.08 -1.54 120.40 127.20 3jty s VAL 376 Ca -0.06 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.21 3jty s VAL 376 Cb -0.09 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3jty s VAL 376 CO -0.03 0.52 -0.16 0.00 0.00 0.00 0.00 175.10 175.43 3jty s ALA 377 N 0.66 1.37 -0.02 5.51 0.00 -0.84 -0.19 121.76 128.25 3jty s ALA 377 Ca -0.08 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.89 3jty s ALA 377 Cb -0.16 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3jty s ALA 377 CO 0.02 0.25 -0.03 -0.47 0.00 0.00 0.00 175.76 175.53 3jty s TYR 378 N -1.06 0.47 -0.18 0.00 5.04 0.04 -2.01 117.35 119.66 3jty s TYR 378 Ca 0.02 -0.09 -0.02 0.00 -2.44 0.00 0.00 57.07 54.54 3jty s TYR 378 Cb -0.09 -0.41 -0.01 0.00 0.35 0.00 0.00 41.96 41.80 3jty s TYR 378 CO 0.02 -0.09 -0.08 0.99 -1.34 0.00 0.00 175.55 175.06 3jty s THR 379 N 0.47 3.30 0.10 4.34 2.01 -0.16 -0.73 115.64 124.96 3jty s THR 379 Ca -0.05 -0.55 -0.31 0.00 0.31 0.00 0.00 61.69 61.09 3jty s THR 379 Cb -0.09 -2.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.91 3jty s THR 379 CO -0.01 0.47 1.29 -0.69 -0.69 0.00 0.00 174.62 175.00 3jty s VAL 380 N 0.89 3.64 -0.18 3.82 1.01 -0.44 -4.59 120.40 124.56 3jty s VAL 380 Ca -0.02 1.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.97 3jty s VAL 380 Cb -0.15 -3.77 -0.21 0.00 0.00 0.00 0.00 36.38 32.26 3jty s VAL 380 CO 0.01 0.10 0.27 1.56 0.00 0.00 0.00 175.10 177.04 3jty h GLN 381 N 6.67 0.07 -5.06 2.72 1.08 -1.90 -1.25 115.11 117.44 3jty h GLN 381 Ca -0.42 -0.12 -0.35 0.00 -1.45 0.00 0.00 58.65 56.31 3jty h GLN 381 Cb 1.21 0.05 -0.19 0.00 -0.05 0.00 0.00 27.48 28.50 3jty h GLN 381 CO 0.83 1.06 -0.75 -1.54 -0.95 0.00 0.00 178.83 177.48 3jty s SER 382 N -6.90 1.51 0.00 1.46 1.04 -1.26 -4.78 113.70 104.77 3jty s SER 382 Ca -0.27 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.42 3jty s SER 382 Cb 0.06 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.17 3jty s SER 382 CO 0.64 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.27 3jty n GLY 383 N 0.79 0.38 0.13 7.32 0.00 -1.26 -4.68 105.19 107.87 3jty n GLY 383 Ca -0.18 -2.27 -0.22 0.00 0.00 0.00 0.00 46.02 43.35 3jty n GLY 383 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3jty h THR 384 N 0.00 1.33 -0.46 2.61 1.35 -2.01 -3.32 112.91 112.41 3jty h THR 384 Ca 0.00 -2.56 -0.70 0.00 -0.55 0.00 0.00 66.41 62.59 3jty h THR 384 Cb 0.00 3.05 -0.04 0.00 -1.73 0.00 0.00 68.15 69.43 3jty h THR 384 CO 0.00 0.75 3.19 0.18 -0.25 0.00 0.00 175.52 179.40 3jty n LEU 385 N -3.94 8.16 -4.51 3.87 4.32 -1.26 -4.93 117.00 118.72 3jty n LEU 385 Ca -0.17 -4.52 -0.34 0.00 -0.02 0.00 0.00 56.01 50.96 3jty n LEU 385 Cb 0.94 -1.51 -0.12 0.00 -1.62 0.00 0.00 43.42 41.11 3jty n LEU 385 CO 0.51 1.90 -0.39 -0.54 -1.22 0.00 0.00 177.39 177.65 3jty s LYS 386 N 1.14 3.10 0.00 3.23 -0.14 -1.25 -4.17 119.74 121.65 3jty s LYS 386 Ca 0.60 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 54.63 3jty s LYS 386 Cb 0.17 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 33.65 3jty s LYS 386 CO -0.07 0.46 0.00 0.09 -0.76 0.00 0.00 175.35 175.07 3jty n ASN 387 N 2.83 0.00 -4.65 2.83 3.02 -0.47 -4.94 115.26 113.88 3jty n ASN 387 Ca -0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.95 3jty n ASN 387 Cb 0.53 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 3jty n ASN 387 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3jty s LEU 388 N 0.00 4.16 -0.21 3.41 2.96 -1.26 -4.51 118.68 123.23 3jty s LEU 388 Ca 0.00 2.25 -0.06 0.00 -0.22 0.00 0.00 54.13 56.10 3jty s LEU 388 Cb 0.00 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 3jty s LEU 388 CO 0.00 -1.19 0.02 0.21 -1.32 0.00 0.00 176.35 174.07 3jty s ASN 389 N 4.70 5.00 -0.19 3.68 2.47 0.17 -1.32 114.94 129.44 3jty s ASN 389 Ca 0.83 -0.17 -0.02 0.00 0.42 0.00 0.00 52.86 53.93 3jty s ASN 389 Cb -0.35 -1.87 -0.00 0.00 -1.45 0.00 0.00 41.25 37.58 3jty s ASN 389 CO 0.35 0.05 -0.10 -0.76 -3.72 0.00 0.00 177.10 172.93 3jty s LEU 390 N 1.07 2.67 -0.15 3.21 1.02 0.09 -0.93 118.68 125.64 3jty s LEU 390 Ca 0.03 -0.45 -0.00 0.00 0.02 0.00 0.00 54.13 53.73 3jty s LEU 390 Cb -0.14 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.41 3jty s LEU 390 CO 0.02 0.02 -0.14 -0.54 0.02 0.00 0.00 176.35 175.73 3jty s LYS 391 N 1.24 3.27 -0.26 1.70 1.02 -0.15 -0.78 119.74 125.78 3jty s LYS 391 Ca 0.03 -0.73 -0.04 0.00 0.02 0.00 0.00 55.97 55.25 3jty s LYS 391 Cb -0.14 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 3jty s LYS 391 CO -0.04 0.05 0.01 -0.46 -0.92 0.00 0.00 175.35 173.98 3jty s TRP 392 N 0.75 3.07 -0.20 3.18 -0.00 0.73 -1.12 118.94 125.35 3jty s TRP 392 Ca -0.06 -1.12 -0.04 0.00 -0.00 0.00 0.00 56.10 54.88 3jty s TRP 392 Cb -0.15 -2.16 -0.01 0.00 -0.00 0.00 0.00 33.47 31.15 3jty s TRP 392 CO 0.01 -0.61 -0.04 1.03 -0.00 0.00 0.00 176.95 177.35 3jty s ARG 393 N 1.45 3.45 -0.01 5.86 0.52 -0.44 -0.74 118.95 129.03 3jty s ARG 393 Ca 0.03 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3jty s ARG 393 Cb -0.16 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 3jty s ARG 393 CO -0.01 -0.09 -0.07 1.21 0.02 0.00 0.00 175.30 176.36 3jty s ASN 394 N 1.22 4.60 -0.02 0.23 2.47 -0.60 -1.26 114.94 121.57 3jty s ASN 394 Ca 0.03 -0.12 -0.17 0.00 0.42 0.00 0.00 52.86 53.01 3jty s ASN 394 Cb -0.14 -1.08 0.03 0.00 -1.45 0.00 0.00 41.25 38.60 3jty s ASN 394 CO -0.01 0.30 0.37 -0.44 -3.72 0.00 0.00 177.10 173.61 3jty s SER 395 N -1.26 -0.27 -0.03 -4.21 0.01 -0.39 -0.91 113.70 106.63 3jty s SER 395 Ca 0.16 0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.65 3jty s SER 395 Cb -0.11 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.49 3jty s SER 395 CO 0.06 -0.46 -0.09 0.42 0.41 0.00 0.00 173.24 173.57 3jty s THR 396 N -1.26 0.79 -0.12 1.44 -4.23 0.44 -1.27 115.64 111.43 3jty s THR 396 Ca -0.13 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 3jty s THR 396 Cb -0.04 -0.71 -0.00 0.00 1.34 0.00 0.00 72.50 73.09 3jty s THR 396 CO 0.05 0.25 -0.20 -0.32 -0.54 0.00 0.00 174.62 173.86 3jty s MET 397 N 0.23 3.14 0.05 3.99 1.75 -0.40 -1.68 119.30 126.37 3jty s MET 397 Ca -0.04 -0.82 0.06 0.00 -1.25 0.00 0.00 55.69 53.64 3jty s MET 397 Cb -0.09 -2.43 -0.02 0.00 2.84 0.00 0.00 34.83 35.13 3jty s MET 397 CO 0.01 0.14 -0.17 1.03 -0.65 0.00 0.00 175.02 175.38 3jty s ARG 398 N 0.46 1.10 -0.04 4.11 1.81 0.12 -2.39 118.95 124.14 3jty s ARG 398 Ca -0.14 -0.86 -0.10 0.00 -1.72 0.00 0.00 55.73 52.91 3jty s ARG 398 Cb -0.17 -1.17 0.02 0.00 -0.45 0.00 0.00 34.95 33.18 3jty s ARG 398 CO 0.06 0.29 0.22 1.03 -0.68 0.00 0.00 175.30 176.22 3jty s ARG 399 N -1.23 0.46 0.00 3.54 0.52 -1.26 -0.90 118.95 120.08 3jty s ARG 399 Ca 0.04 -0.08 0.18 0.00 -0.52 0.00 0.00 55.73 55.35 3jty s ARG 399 Cb -0.08 0.20 0.45 0.00 0.52 0.00 0.00 34.95 36.04 3jty s ARG 399 CO 0.02 -0.10 1.37 -0.40 0.02 0.00 0.00 175.30 176.21 3jty n ASP 400 N 1.94 3.39 -0.17 0.23 3.85 -1.16 -4.52 116.55 120.11 3jty n ASP 400 Ca -0.19 -1.96 0.02 0.00 -0.71 0.00 0.00 54.79 51.95 3jty n ASP 400 Cb 0.57 -0.33 0.03 0.00 -1.35 0.00 0.00 41.12 40.04 3jty n ASP 400 CO 0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.20 178.41 3jty n PHE 401 N 1.18 0.00 -3.62 2.11 1.16 -1.26 -4.92 117.46 112.11 3jty n PHE 401 Ca 0.18 -0.29 -0.11 0.00 -1.87 0.00 0.00 57.45 55.35 3jty n PHE 401 Cb 0.53 -0.06 -0.07 0.00 -1.61 0.00 0.00 39.48 38.28 3jty n PHE 401 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3jty s SER 402 N -1.08 -0.53 0.56 5.98 0.15 -1.26 -4.96 113.70 112.55 3jty s SER 402 Ca 0.06 0.94 0.27 0.00 0.70 0.00 0.00 55.95 57.93 3jty s SER 402 Cb 0.06 0.92 1.47 0.00 -1.71 0.00 0.00 66.02 66.75 3jty s SER 402 CO 0.01 -0.24 1.98 0.78 1.20 0.00 0.00 173.24 176.97 3jty h ASN 403 N 4.07 0.00 -0.01 5.45 2.35 -1.97 -3.43 115.58 122.04 3jty h ASN 403 Ca -0.27 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 54.82 3jty h ASN 403 Cb 1.17 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.57 3jty h ASN 403 CO 0.14 0.00 2.44 -3.20 -1.65 0.00 0.00 177.43 175.17 3jty n ASN 404 N -4.11 2.77 -4.17 5.81 5.15 -1.26 -4.68 115.26 114.76 3jty n ASN 404 Ca 0.09 -2.71 -0.28 0.00 -0.60 0.00 0.00 54.58 51.08 3jty n ASN 404 Cb 0.60 -1.22 -0.16 0.00 -0.53 0.00 0.00 39.78 38.47 3jty n ASN 404 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3jty s GLU 405 N 4.68 1.99 -0.08 1.20 2.02 -1.26 -4.75 118.70 122.50 3jty s GLU 405 Ca 0.56 -0.69 -0.30 0.00 0.02 0.00 0.00 54.97 54.55 3jty s GLU 405 Cb 0.14 -1.72 0.08 0.00 0.10 0.00 0.00 34.13 32.73 3jty s GLU 405 CO 0.08 0.29 0.74 -0.59 0.02 0.00 0.00 175.26 175.80 3jty s PHE 406 N -0.04 -0.61 -0.06 1.61 -0.12 -1.00 -1.41 117.98 116.34 3jty s PHE 406 Ca -0.03 1.08 -0.13 0.00 -0.05 0.00 0.00 56.93 57.80 3jty s PHE 406 Cb -0.12 0.41 -0.05 0.00 -0.63 0.00 0.00 43.02 42.63 3jty s PHE 406 CO 0.02 -0.55 0.32 -0.51 -0.05 0.00 0.00 175.22 174.46 3jty s ASP 407 N -1.08 6.63 -0.10 1.98 1.01 -0.54 -1.28 116.67 123.29 3jty s ASP 407 Ca -0.09 0.75 -0.07 0.00 0.71 0.00 0.00 52.55 53.85 3jty s ASP 407 Cb -0.00 -2.19 0.03 0.00 1.01 0.00 0.00 42.92 41.77 3jty s ASP 407 CO 0.08 0.29 0.25 -0.70 0.21 0.00 0.00 175.17 175.30 3jty s GLU 408 N -0.71 0.25 -0.04 8.23 2.12 -0.40 0.30 118.70 128.46 3jty s GLU 408 Ca 0.20 0.42 0.05 0.00 0.36 0.00 0.00 54.97 56.00 3jty s GLU 408 Cb -0.15 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.27 3jty s GLU 408 CO 0.09 -0.09 -0.19 -0.80 -0.54 0.00 0.00 175.26 173.73 3jty s ASN 409 N 0.59 2.37 -0.02 -1.70 0.01 -0.15 -1.27 114.94 114.77 3jty s ASN 409 Ca -0.04 -0.39 0.06 0.00 -0.71 0.00 0.00 52.86 51.78 3jty s ASN 409 Cb -0.05 -0.62 -0.01 0.00 0.41 0.00 0.00 41.25 40.97 3jty s ASN 409 CO -0.03 0.18 -0.20 -0.13 -1.51 0.00 0.00 177.10 175.41 3jty s ARG 410 N -0.05 1.67 -0.07 -0.60 0.52 -0.39 0.18 118.95 120.21 3jty s ARG 410 Ca -0.03 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.47 3jty s ARG 410 Cb -0.12 -1.58 0.02 0.00 0.52 0.00 0.00 34.95 33.80 3jty s ARG 410 CO 0.02 0.40 -0.03 -1.17 0.02 0.00 0.00 175.30 174.54 3jty s LEU 411 N -0.39 0.97 -0.15 2.53 2.96 0.88 -1.33 118.68 124.15 3jty s LEU 411 Ca 0.06 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3jty s LEU 411 Cb -0.08 -0.55 0.04 0.00 0.50 0.00 0.00 46.19 46.10 3jty s LEU 411 CO -0.00 -0.13 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.23 3jty s ILE 412 N 1.57 0.95 -0.22 6.68 1.01 -0.27 -0.03 121.20 130.90 3jty s ILE 412 Ca -0.00 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3jty s ILE 412 Cb -0.13 -1.14 0.03 0.00 0.01 0.00 0.00 42.46 41.23 3jty s ILE 412 CO -0.04 0.14 -0.15 -0.63 0.00 0.00 0.00 174.94 174.26 3jty s ILE 413 N 1.70 2.20 0.05 2.92 1.01 0.36 -0.97 121.20 128.48 3jty s ILE 413 Ca 0.02 -1.19 0.05 0.00 0.00 0.00 0.00 60.65 59.52 3jty s ILE 413 Cb -0.15 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 3jty s ILE 413 CO -0.07 0.30 -0.14 -0.94 0.00 0.00 0.00 174.94 174.09 3jty s SER 414 N 1.23 1.61 -0.11 3.58 1.04 -0.11 -0.24 113.70 120.70 3jty s SER 414 Ca -0.00 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.87 3jty s SER 414 Cb -0.16 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 65.93 3jty s SER 414 CO -0.09 -0.03 0.03 -0.47 0.98 0.00 0.00 173.24 173.66 3jty s TYR 415 N -1.06 0.58 -0.59 5.02 5.04 0.41 -0.66 117.35 126.09 3jty s TYR 415 Ca -0.01 -0.27 -0.23 0.00 -2.44 0.00 0.00 57.07 54.12 3jty s TYR 415 Cb -0.09 -0.78 0.05 0.00 0.35 0.00 0.00 41.96 41.49 3jty s TYR 415 CO 0.02 -0.39 0.95 -1.25 -1.34 0.00 0.00 175.55 173.53 3jty s PRO 416 N 2.00 3.24 -0.40 4.97 0.04 -1.26 -1.19 135.00 142.40 3jty s PRO 416 Ca 0.03 -0.49 -0.21 0.00 0.04 0.00 0.00 61.00 60.37 3jty s PRO 416 Cb -0.14 -4.12 0.01 0.00 0.04 0.00 0.00 34.50 30.30 3jty s PRO 416 CO -0.06 -1.62 0.67 -1.17 0.04 0.00 0.00 177.00 174.87 3jty s LEU 417 N 4.00 4.34 0.03 -3.56 2.96 0.09 -4.96 118.68 121.56 3jty s LEU 417 Ca 0.27 -0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.82 3jty s LEU 417 Cb -0.14 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 3jty s LEU 417 CO 0.16 -0.72 1.15 -0.55 -1.32 0.00 0.00 176.35 175.07 3jty s SER 418 N 1.93 7.14 0.00 3.68 0.15 -1.26 -2.07 113.70 123.26 3jty s SER 418 Ca 0.25 1.90 0.07 0.00 0.70 0.00 0.00 55.95 58.88 3jty s SER 418 Cb -0.14 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.66 3jty s SER 418 CO 0.18 -0.44 0.73 0.18 1.20 0.00 0.00 173.24 175.09